4aH-cinnolin-4-one

C8H6N2O — CID 57264785

IUPAC4aH-cinnolin-4-one
SMILESO=C1C=NN=C2C=CC=CC12
InChIInChI=1S/C8H6N2O/c11-8-5-9-10-7-4-2-1-3-6(7)8/h1-6H
InChIKeyWONPVHBERUAJCU-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.74
Rot. Bonds

About 4aH-cinnolin-4-one

4aH-cinnolin-4-one (PubChem CID 57264785) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 4aH-cinnolin-4-one.

Molecular Properties

Compound Name4aH-cinnolin-4-one
PubChem CID57264785
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name4aH-cinnolin-4-one
SMILESO=C1C=NN=C2C=CC=CC12
InChIInChI=1S/C8H6N2O/c11-8-5-9-10-7-4-2-1-3-6(7)8/h1-6H
InChIKeyWONPVHBERUAJCU-UHFFFAOYSA-N
XLogP0.74
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4aH-cinnolin-4-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 4aH-cinnolin-4-one?
The IUPAC name of 4aH-cinnolin-4-one (CID 57264785) is 4aH-cinnolin-4-one.
What is the SMILES notation for 4aH-cinnolin-4-one?
The canonical SMILES for 4aH-cinnolin-4-one is O=C1C=NN=C2C=CC=CC12.
What is the InChIKey of 4aH-cinnolin-4-one?
The InChIKey is WONPVHBERUAJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-8-5-9-10-7-4-2-1-3-6(7)8/h1-6H.
What are the key properties of 4aH-cinnolin-4-one?
4aH-cinnolin-4-one has a molecular weight of 146.15 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-cinnolin-4-one is sourced from PubChem (CID 57264785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).