pyrido[3,4-b]azepin-2-one

C9H6N2O — CID 170528888

IUPACpyrido[3,4-b]azepin-2-one
SMILESO=c1cccc2ccncc2n1
InChIInChI=1S/C9H6N2O/c12-9-3-1-2-7-4-5-10-6-8(7)11-9/h1-6H
InChIKeyOJSWRSGYEFOKLX-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.99
Rot. Bonds

About pyrido[3,4-b]azepin-2-one

pyrido[3,4-b]azepin-2-one (PubChem CID 170528888) has the molecular formula C9H6N2O and a molecular weight of 158.16 g/mol. Its IUPAC name is pyrido[3,4-b]azepin-2-one.

Molecular Properties

Compound Namepyrido[3,4-b]azepin-2-one
PubChem CID170528888
Molecular FormulaC9H6N2O
Molecular Weight158.16 g/mol
Exact Mass158.05
IUPAC Namepyrido[3,4-b]azepin-2-one
SMILESO=c1cccc2ccncc2n1
InChIInChI=1S/C9H6N2O/c12-9-3-1-2-7-4-5-10-6-8(7)11-9/h1-6H
InChIKeyOJSWRSGYEFOKLX-UHFFFAOYSA-N
XLogP0.99
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrido[3,4-b]azepin-2-one?
The IUPAC name of pyrido[3,4-b]azepin-2-one (CID 170528888) is pyrido[3,4-b]azepin-2-one.
What is the SMILES notation for pyrido[3,4-b]azepin-2-one?
The canonical SMILES for pyrido[3,4-b]azepin-2-one is O=c1cccc2ccncc2n1.
What is the InChIKey of pyrido[3,4-b]azepin-2-one?
The InChIKey is OJSWRSGYEFOKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O/c12-9-3-1-2-7-4-5-10-6-8(7)11-9/h1-6H.
What are the key properties of pyrido[3,4-b]azepin-2-one?
pyrido[3,4-b]azepin-2-one has a molecular weight of 158.16 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[3,4-b]azepin-2-one is sourced from PubChem (CID 170528888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).