3-methylidenequinoxalin-2-one

C9H6N2O — CID 154123936

IUPAC3-methylidenequinoxalin-2-one
SMILESC=C1N=c2ccccc2=NC1=O
InChIInChI=1S/C9H6N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H,1H2
InChIKeyWVNZTUPFBVXRAM-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.02
Rot. Bonds

About 3-methylidenequinoxalin-2-one

3-methylidenequinoxalin-2-one (PubChem CID 154123936) has the molecular formula C9H6N2O and a molecular weight of 158.16 g/mol. Its IUPAC name is 3-methylidenequinoxalin-2-one.

Molecular Properties

Compound Name3-methylidenequinoxalin-2-one
PubChem CID154123936
Molecular FormulaC9H6N2O
Molecular Weight158.16 g/mol
Exact Mass158.05
IUPAC Name3-methylidenequinoxalin-2-one
SMILESC=C1N=c2ccccc2=NC1=O
InChIInChI=1S/C9H6N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H,1H2
InChIKeyWVNZTUPFBVXRAM-UHFFFAOYSA-N
XLogP-0.02
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Quinoxalinedione
CID 11469229
Quinoxa-line-2,3-dione hydrochloride
CID 22073418
Aminobenzazepinone
CID 22243685
3-Oxochinoxalin
CID 57169914
Quinoxalinoazepinone
CID 129817758
6-Fluoro-3-methylidenequinoxalin-2-one
CID 73071378
7-Fluoro-3-methylidenequinoxalin-2-one
CID 73866769
Quinoxaline-2,3-dione;hydrate
CID 18329724
6-Aminoquinoxaline-2,3-dione
CID 18941541
5-Aminoquinoxaline-2,3-dione
CID 22097109
6,7-Diaminoquinoxaline-2,3-dione
CID 53435401
3-Amino-1,5-benzodiazepin-2-one
CID 54546721

Frequently Asked Questions

What is the IUPAC name of 3-methylidenequinoxalin-2-one?
The IUPAC name of 3-methylidenequinoxalin-2-one (CID 154123936) is 3-methylidenequinoxalin-2-one.
What is the SMILES notation for 3-methylidenequinoxalin-2-one?
The canonical SMILES for 3-methylidenequinoxalin-2-one is C=C1N=c2ccccc2=NC1=O.
What is the InChIKey of 3-methylidenequinoxalin-2-one?
The InChIKey is WVNZTUPFBVXRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H,1H2.
What are the key properties of 3-methylidenequinoxalin-2-one?
3-methylidenequinoxalin-2-one has a molecular weight of 158.16 g/mol, XLogP of -0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenequinoxalin-2-one is sourced from PubChem (CID 154123936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).