2H-azepin-2-ol

C6H7NO — CID 140986454

IUPAC2H-azepin-2-ol
SMILESOC1C=CC=CC=N1
InChIInChI=1S/C6H7NO/c8-6-4-2-1-3-5-7-6/h1-6,8H
InChIKeyXIFBAYMBHYYFKD-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.50
Rot. Bonds

About 2H-azepin-2-ol

2H-azepin-2-ol (PubChem CID 140986454) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 2H-azepin-2-ol.

Molecular Properties

Compound Name2H-azepin-2-ol
PubChem CID140986454
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name2H-azepin-2-ol
SMILESOC1C=CC=CC=N1
InChIInChI=1S/C6H7NO/c8-6-4-2-1-3-5-7-6/h1-6,8H
InChIKeyXIFBAYMBHYYFKD-UHFFFAOYSA-N
XLogP0.50
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-azepin-2-ol?
The IUPAC name of 2H-azepin-2-ol (CID 140986454) is 2H-azepin-2-ol.
What is the SMILES notation for 2H-azepin-2-ol?
The canonical SMILES for 2H-azepin-2-ol is OC1C=CC=CC=N1.
What is the InChIKey of 2H-azepin-2-ol?
The InChIKey is XIFBAYMBHYYFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c8-6-4-2-1-3-5-7-6/h1-6,8H.
What are the key properties of 2H-azepin-2-ol?
2H-azepin-2-ol has a molecular weight of 109.13 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-azepin-2-ol is sourced from PubChem (CID 140986454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).