2-cyclopropyl-5-nitrosoisoquinolin-1-one

C12H10N2O2 — CID 89125188

IUPAC2-cyclopropyl-5-nitrosoisoquinolin-1-one
SMILESO=Nc1cccc2c(=O)n(C3CC3)ccc12
InChIInChI=1S/C12H10N2O2/c15-12-10-2-1-3-11(13-16)9(10)6-7-14(12)8-4-5-8/h1-3,6-8H,4-5H2
InChIKeyCPRHPTYMHJFSOT-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.73
Rot. Bonds2

About 2-cyclopropyl-5-nitrosoisoquinolin-1-one

2-cyclopropyl-5-nitrosoisoquinolin-1-one (PubChem CID 89125188) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-cyclopropyl-5-nitrosoisoquinolin-1-one.

Molecular Properties

Compound Name2-cyclopropyl-5-nitrosoisoquinolin-1-one
PubChem CID89125188
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name2-cyclopropyl-5-nitrosoisoquinolin-1-one
SMILESO=Nc1cccc2c(=O)n(C3CC3)ccc12
InChIInChI=1S/C12H10N2O2/c15-12-10-2-1-3-11(13-16)9(10)6-7-14(12)8-4-5-8/h1-3,6-8H,4-5H2
InChIKeyCPRHPTYMHJFSOT-UHFFFAOYSA-N
XLogP2.73
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-5-nitrosoisoquinolin-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 2-cyclopropyl-5-nitrosoisoquinolin-1-one?
The IUPAC name of 2-cyclopropyl-5-nitrosoisoquinolin-1-one (CID 89125188) is 2-cyclopropyl-5-nitrosoisoquinolin-1-one.
What is the SMILES notation for 2-cyclopropyl-5-nitrosoisoquinolin-1-one?
The canonical SMILES for 2-cyclopropyl-5-nitrosoisoquinolin-1-one is O=Nc1cccc2c(=O)n(C3CC3)ccc12.
What is the InChIKey of 2-cyclopropyl-5-nitrosoisoquinolin-1-one?
The InChIKey is CPRHPTYMHJFSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-12-10-2-1-3-11(13-16)9(10)6-7-14(12)8-4-5-8/h1-3,6-8H,4-5H2.
What are the key properties of 2-cyclopropyl-5-nitrosoisoquinolin-1-one?
2-cyclopropyl-5-nitrosoisoquinolin-1-one has a molecular weight of 214.22 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-nitrosoisoquinolin-1-one is sourced from PubChem (CID 89125188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).