1,2-dihydropyrido[2,3-d]azepin-8-one

C9H8N2O — CID 140921113

IUPAC1,2-dihydropyrido[2,3-d]azepin-8-one
SMILESO=c1cc2c(ccn1)C=CCN2
InChIInChI=1S/C9H8N2O/c12-9-6-8-7(3-5-11-9)2-1-4-10-8/h1-3,5-6,10H,4H2
InChIKeyBSTZBCZOWLDGSP-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.88
Rot. Bonds

About 1,2-dihydropyrido[2,3-d]azepin-8-one

1,2-dihydropyrido[2,3-d]azepin-8-one (PubChem CID 140921113) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 1,2-dihydropyrido[2,3-d]azepin-8-one.

Molecular Properties

Compound Name1,2-dihydropyrido[2,3-d]azepin-8-one
PubChem CID140921113
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name1,2-dihydropyrido[2,3-d]azepin-8-one
SMILESO=c1cc2c(ccn1)C=CCN2
InChIInChI=1S/C9H8N2O/c12-9-6-8-7(3-5-11-9)2-1-4-10-8/h1-3,5-6,10H,4H2
InChIKeyBSTZBCZOWLDGSP-UHFFFAOYSA-N
XLogP0.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-Benzodiazepin-2-ylidene)acetamide
CID 54264308
7H-1,7-naphthyridin-6-one
CID 57421640
6H-1,6-naphthyridin-7-one
CID 57421642
(2Z)-2-(1,4-benzodiazepin-2-ylidene)acetamide
CID 57449244
1,2-Dihydropyrrolo[3,4-b]pyridin-5-one
CID 67504881
3-deuterio-7H-1,7-naphthyridin-6-one
CID 117916401
Pyrido[1,2-d][1,4]diazepine-8-carboxamide
CID 140115680
1H-pyrrolo[2,3-d]azepin-2-one
CID 141363173
4-[(1Z)-1-(prop-2-enylideneamino)buta-1,3-dienyl]-1H-pyridin-2-one
CID 145140027
2,5-Dihydropyrido[4,3-c]azepin-3-one
CID 146240609
4,5-Dihydropyrrolo[3,2-c]pyridin-6-one
CID 153761779
2-methylidene-3H-pyridine;1H-pyridin-2-one
CID 161392799

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyrido[2,3-d]azepin-8-one?
The IUPAC name of 1,2-dihydropyrido[2,3-d]azepin-8-one (CID 140921113) is 1,2-dihydropyrido[2,3-d]azepin-8-one.
What is the SMILES notation for 1,2-dihydropyrido[2,3-d]azepin-8-one?
The canonical SMILES for 1,2-dihydropyrido[2,3-d]azepin-8-one is O=c1cc2c(ccn1)C=CCN2.
What is the InChIKey of 1,2-dihydropyrido[2,3-d]azepin-8-one?
The InChIKey is BSTZBCZOWLDGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-6-8-7(3-5-11-9)2-1-4-10-8/h1-3,5-6,10H,4H2.
What are the key properties of 1,2-dihydropyrido[2,3-d]azepin-8-one?
1,2-dihydropyrido[2,3-d]azepin-8-one has a molecular weight of 160.18 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrido[2,3-d]azepin-8-one is sourced from PubChem (CID 140921113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).