N-[2-(3-oxo-2H-isoquinolin-1-yl)ethenyl]formamide

C12H10N2O2 — CID 57252820

IUPACN-[2-(3-oxo-2H-isoquinolin-1-yl)ethenyl]formamide
SMILESO=CNC=Cc1[nH]c(=O)cc2ccccc12
InChIInChI=1S/C12H10N2O2/c15-8-13-6-5-11-10-4-2-1-3-9(10)7-12(16)14-11/h1-8H,(H,13,15)(H,14,16)
InChIKeyKGBDMTQCWXXNBB-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.24
Rot. Bonds3

About N-[2-(3-oxo-2H-isoquinolin-1-yl)ethenyl]formamide

N-[2-(3-oxo-2H-isoquinolin-1-yl)ethenyl]formamide (PubChem CID 57252820) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is N-[2-(3-oxo-2H-isoquinolin-1-yl)ethenyl]formamide.

Molecular Properties

Compound NameN-[2-(3-oxo-2H-isoquinolin-1-yl)ethenyl]formamide
PubChem CID57252820
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC NameN-[2-(3-oxo-2H-isoquinolin-1-yl)ethenyl]formamide
SMILESO=CNC=Cc1[nH]c(=O)cc2ccccc12
InChIInChI=1S/C12H10N2O2/c15-8-13-6-5-11-10-4-2-1-3-9(10)7-12(16)14-11/h1-8H,(H,13,15)(H,14,16)
InChIKeyKGBDMTQCWXXNBB-UHFFFAOYSA-N
XLogP1.24
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-(3-oxo-2H-isoquinolin-1-yl)ethenyl]formamide 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 N-[2-(3-oxo-2H-isoquinolin-1-yl)ethenyl]formamide?
The IUPAC name of N-[2-(3-oxo-2H-isoquinolin-1-yl)ethenyl]formamide (CID 57252820) is N-[2-(3-oxo-2H-isoquinolin-1-yl)ethenyl]formamide.
What is the SMILES notation for N-[2-(3-oxo-2H-isoquinolin-1-yl)ethenyl]formamide?
The canonical SMILES for N-[2-(3-oxo-2H-isoquinolin-1-yl)ethenyl]formamide is O=CNC=Cc1[nH]c(=O)cc2ccccc12.
What is the InChIKey of N-[2-(3-oxo-2H-isoquinolin-1-yl)ethenyl]formamide?
The InChIKey is KGBDMTQCWXXNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-8-13-6-5-11-10-4-2-1-3-9(10)7-12(16)14-11/h1-8H,(H,13,15)(H,14,16).
What are the key properties of N-[2-(3-oxo-2H-isoquinolin-1-yl)ethenyl]formamide?
N-[2-(3-oxo-2H-isoquinolin-1-yl)ethenyl]formamide has a molecular weight of 214.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-2H-isoquinolin-1-yl)ethenyl]formamide is sourced from PubChem (CID 57252820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).