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Molecule record

CAPROLACTAM

C6H11NO

113.16 g/mol

2D structure for CAPROLACTAM

Molecular properties

Formula
C6H11NO
Molar mass
113.16 g·mol−1
Exact mass
113.0841 Da
2
1
1
29.10 Ų
-0.1 (PubChem computed XLogP3-AA descriptor)
CAS
105-60-2
PubChem CID
7768

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Amide
Amine
Aromatic ring
Phenol

Physical properties

PropertyValueConditionsSource
Logp-0.1PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1,6-Hexolactam
  • 1-Aza-2-cycloheptanone
  • 105-60-2
  • 2-Azacycloheptanone
  • 2-Ketohexamethyleneimine
  • 2-Ketohexamethylenimine
  • 2-Oxohexamethyleneimine
  • 2-Oxohexamethylenimine
Show all 22 synonyms
  • 2-Perhydroazepinone
  • 2H-Azepin-2-one, hexahydro-
  • 6-Caprolactam
  • 6-Hexanelactam
  • Aminocaproic lactam
  • Caprolattame
  • Cyclohexanone iso-oxime
  • Hexahydro-2-azepinone
  • Hexahydro-2H-azepin-2-one
  • Hexanolactam
  • Hexanone isoxime
  • Hexanonisoxim
  • azepan-2-one
  • epsilon-Caprolactam

Structure identifiers

Canonical SMILES
C1CCC(=O)NCC1
Isomeric SMILES
C1CCC(=O)NCC1
InChI
InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
InChIKey
JBKVHLHDHHXQEQ-UHFFFAOYSA-N
PubChem CID
7768

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
1660 cm−1amide C=O (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for CAPROLACTAM; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for CAPROLACTAM; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record