1H-pyrrolo[2,3-d]azepin-2-one

C8H6N2O — CID 141363173

IUPAC1H-pyrrolo[2,3-d]azepin-2-one
SMILESO=c1cc2ccnccc-2[nH]1
InChIInChI=1S/C8H6N2O/c11-8-5-6-1-3-9-4-2-7(6)10-8/h1-5H,(H,10,11)
InChIKeyFOJPJDZIEOPZSK-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.87
Rot. Bonds

About 1H-pyrrolo[2,3-d]azepin-2-one

1H-pyrrolo[2,3-d]azepin-2-one (PubChem CID 141363173) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-d]azepin-2-one.

Molecular Properties

Compound Name1H-pyrrolo[2,3-d]azepin-2-one
PubChem CID141363173
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name1H-pyrrolo[2,3-d]azepin-2-one
SMILESO=c1cc2ccnccc-2[nH]1
InChIInChI=1S/C8H6N2O/c11-8-5-6-1-3-9-4-2-7(6)10-8/h1-5H,(H,10,11)
InChIKeyFOJPJDZIEOPZSK-UHFFFAOYSA-N
XLogP0.87
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1H-pyrrolo[2,3-d]azepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oxodiazepinoindole
CID 136432883
7H-1,7-naphthyridin-6-one
CID 57421640
1H-pyrrolo[3,2-c]azepin-2-one
CID 67578917
3-deuterio-7H-1,7-naphthyridin-6-one
CID 117916401
1,4-Dihydropyrrolo[3,2-c]pyridin-2-one
CID 126618278
Pyrrolobenzazepinone
CID 136423828
Azepinoindolone
CID 137178482
Pyrrolo(1,4)-benzodiazepinone
CID 137190703
1,2-Dihydropyrido[2,3-d]azepin-8-one
CID 140921113
1-ethyl-2H-2,7-naphthyridin-3-one
CID 156703532
1,5-Dihydropyrido[2,3-c]azepin-2-one;hydrochloride
CID 170312438
4-(azepin-2-ylidene)-1H-indol-2-one
CID 174382915

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-d]azepin-2-one?
The IUPAC name of 1H-pyrrolo[2,3-d]azepin-2-one (CID 141363173) is 1H-pyrrolo[2,3-d]azepin-2-one.
What is the SMILES notation for 1H-pyrrolo[2,3-d]azepin-2-one?
The canonical SMILES for 1H-pyrrolo[2,3-d]azepin-2-one is O=c1cc2ccnccc-2[nH]1.
What is the InChIKey of 1H-pyrrolo[2,3-d]azepin-2-one?
The InChIKey is FOJPJDZIEOPZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-8-5-6-1-3-9-4-2-7(6)10-8/h1-5H,(H,10,11).
What are the key properties of 1H-pyrrolo[2,3-d]azepin-2-one?
1H-pyrrolo[2,3-d]azepin-2-one has a molecular weight of 146.15 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-d]azepin-2-one is sourced from PubChem (CID 141363173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).