1H-azepin-4-ol

C6H7NO — CID 19710549

IUPAC1H-azepin-4-ol
SMILESOC1=CC=CNC=C1
InChIInChI=1S/C6H7NO/c8-6-2-1-4-7-5-3-6/h1-5,7-8H
InChIKeyFLQSQFHGNQPCJN-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.06
Rot. Bonds

About 1H-azepin-4-ol

1H-azepin-4-ol (PubChem CID 19710549) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 1H-azepin-4-ol.

Molecular Properties

Compound Name1H-azepin-4-ol
PubChem CID19710549
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name1H-azepin-4-ol
SMILESOC1=CC=CNC=C1
InChIInChI=1S/C6H7NO/c8-6-2-1-4-7-5-3-6/h1-5,7-8H
InChIKeyFLQSQFHGNQPCJN-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

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Frequently Asked Questions

What is the IUPAC name of 1H-azepin-4-ol?
The IUPAC name of 1H-azepin-4-ol (CID 19710549) is 1H-azepin-4-ol.
What is the SMILES notation for 1H-azepin-4-ol?
The canonical SMILES for 1H-azepin-4-ol is OC1=CC=CNC=C1.
What is the InChIKey of 1H-azepin-4-ol?
The InChIKey is FLQSQFHGNQPCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c8-6-2-1-4-7-5-3-6/h1-5,7-8H.
What are the key properties of 1H-azepin-4-ol?
1H-azepin-4-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-4-ol is sourced from PubChem (CID 19710549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).