2H-pyrrolo[3,4-c]azepin-1-one

C8H6N2O — CID 151121436

IUPAC2H-pyrrolo[3,4-c]azepin-1-one
SMILESO=c1[nH]cc2cncccc1-2
InChIInChI=1S/C8H6N2O/c11-8-7-2-1-3-9-4-6(7)5-10-8/h1-5H,(H,10,11)
InChIKeyMSGREIPBVNZGKA-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.87
Rot. Bonds

About 2H-pyrrolo[3,4-c]azepin-1-one

2H-pyrrolo[3,4-c]azepin-1-one (PubChem CID 151121436) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 2H-pyrrolo[3,4-c]azepin-1-one.

Molecular Properties

Compound Name2H-pyrrolo[3,4-c]azepin-1-one
PubChem CID151121436
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name2H-pyrrolo[3,4-c]azepin-1-one
SMILESO=c1[nH]cc2cncccc1-2
InChIInChI=1S/C8H6N2O/c11-8-7-2-1-3-9-4-6(7)5-10-8/h1-5H,(H,10,11)
InChIKeyMSGREIPBVNZGKA-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 2H-pyrrolo[3,4-c]azepin-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2H-pyrrolo[3,4-c]azepin-1-one?
The IUPAC name of 2H-pyrrolo[3,4-c]azepin-1-one (CID 151121436) is 2H-pyrrolo[3,4-c]azepin-1-one.
What is the SMILES notation for 2H-pyrrolo[3,4-c]azepin-1-one?
The canonical SMILES for 2H-pyrrolo[3,4-c]azepin-1-one is O=c1[nH]cc2cncccc1-2.
What is the InChIKey of 2H-pyrrolo[3,4-c]azepin-1-one?
The InChIKey is MSGREIPBVNZGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-8-7-2-1-3-9-4-6(7)5-10-8/h1-5H,(H,10,11).
What are the key properties of 2H-pyrrolo[3,4-c]azepin-1-one?
2H-pyrrolo[3,4-c]azepin-1-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 2H-pyrrolo[3,4-c]azepin-1-one is sourced from PubChem (CID 151121436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).