1H-azepin-2-ol

C6H7NO — CID 22390896

IUPAC1H-azepin-2-ol
SMILESOC1=CC=CC=CN1
InChIInChI=1S/C6H7NO/c8-6-4-2-1-3-5-7-6/h1-5,7-8H
InChIKeyBXLHOSHUHPPGDV-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.06
Rot. Bonds

About 1H-azepin-2-ol

1H-azepin-2-ol (PubChem CID 22390896) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 1H-azepin-2-ol.

Molecular Properties

Compound Name1H-azepin-2-ol
PubChem CID22390896
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name1H-azepin-2-ol
SMILESOC1=CC=CC=CN1
InChIInChI=1S/C6H7NO/c8-6-4-2-1-3-5-7-6/h1-5,7-8H
InChIKeyBXLHOSHUHPPGDV-UHFFFAOYSA-N
XLogP1.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1H-azepin-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-azepin-2-ol?
The IUPAC name of 1H-azepin-2-ol (CID 22390896) is 1H-azepin-2-ol.
What is the SMILES notation for 1H-azepin-2-ol?
The canonical SMILES for 1H-azepin-2-ol is OC1=CC=CC=CN1.
What is the InChIKey of 1H-azepin-2-ol?
The InChIKey is BXLHOSHUHPPGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c8-6-4-2-1-3-5-7-6/h1-5,7-8H.
What are the key properties of 1H-azepin-2-ol?
1H-azepin-2-ol has a molecular weight of 109.13 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepin-2-ol is sourced from PubChem (CID 22390896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).