2,5-dihydropyrido[4,3-c]azepin-3-one

C9H8N2O — CID 146240609

IUPAC2,5-dihydropyrido[4,3-c]azepin-3-one
SMILESO=c1cc2c(c[nH]1)C=CC=NC2
InChIInChI=1S/C9H8N2O/c12-9-4-8-5-10-3-1-2-7(8)6-11-9/h1-4,6H,5H2,(H,11,12)
InChIKeyLPJNYDXVDCLXFO-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.97
Rot. Bonds

About 2,5-dihydropyrido[4,3-c]azepin-3-one

2,5-dihydropyrido[4,3-c]azepin-3-one (PubChem CID 146240609) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2,5-dihydropyrido[4,3-c]azepin-3-one.

Molecular Properties

Compound Name2,5-dihydropyrido[4,3-c]azepin-3-one
PubChem CID146240609
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2,5-dihydropyrido[4,3-c]azepin-3-one
SMILESO=c1cc2c(c[nH]1)C=CC=NC2
InChIInChI=1S/C9H8N2O/c12-9-4-8-5-10-3-1-2-7(8)6-11-9/h1-4,6H,5H2,(H,11,12)
InChIKeyLPJNYDXVDCLXFO-UHFFFAOYSA-N
XLogP0.97
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyrido[4,3-c]azepin-3-one?
The IUPAC name of 2,5-dihydropyrido[4,3-c]azepin-3-one (CID 146240609) is 2,5-dihydropyrido[4,3-c]azepin-3-one.
What is the SMILES notation for 2,5-dihydropyrido[4,3-c]azepin-3-one?
The canonical SMILES for 2,5-dihydropyrido[4,3-c]azepin-3-one is O=c1cc2c(c[nH]1)C=CC=NC2.
What is the InChIKey of 2,5-dihydropyrido[4,3-c]azepin-3-one?
The InChIKey is LPJNYDXVDCLXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-4-8-5-10-3-1-2-7(8)6-11-9/h1-4,6H,5H2,(H,11,12).
What are the key properties of 2,5-dihydropyrido[4,3-c]azepin-3-one?
2,5-dihydropyrido[4,3-c]azepin-3-one has a molecular weight of 160.18 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyrido[4,3-c]azepin-3-one is sourced from PubChem (CID 146240609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).