6-fluoro-3-methylidenequinoxalin-2-one

C9H5FN2O — CID 73071378

IUPAC6-fluoro-3-methylidenequinoxalin-2-one
SMILESC=C1N=c2cc(F)ccc2=NC1=O
InChIInChI=1S/C9H5FN2O/c1-5-9(13)12-7-3-2-6(10)4-8(7)11-5/h2-4H,1H2
InChIKeyZSSHIVAOCRCVTI-UHFFFAOYSA-N
MW176.15 g/mol
LogP0.12
Rot. Bonds

About 6-fluoro-3-methylidenequinoxalin-2-one

6-fluoro-3-methylidenequinoxalin-2-one (PubChem CID 73071378) has the molecular formula C9H5FN2O and a molecular weight of 176.15 g/mol. Its IUPAC name is 6-fluoro-3-methylidenequinoxalin-2-one.

Molecular Properties

Compound Name6-fluoro-3-methylidenequinoxalin-2-one
PubChem CID73071378
Molecular FormulaC9H5FN2O
Molecular Weight176.15 g/mol
Exact Mass176.04
IUPAC Name6-fluoro-3-methylidenequinoxalin-2-one
SMILESC=C1N=c2cc(F)ccc2=NC1=O
InChIInChI=1S/C9H5FN2O/c1-5-9(13)12-7-3-2-6(10)4-8(7)11-5/h2-4H,1H2
InChIKeyZSSHIVAOCRCVTI-UHFFFAOYSA-N
XLogP0.12
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 50.12
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

Quinoxalinoazepinone
CID 129817758
6-fluoro-3H-quinoxalin-2-one
CID 71773273
7-Fluoro-3-methylidenequinoxalin-2-one
CID 73866769
6-Fluoroquinoxaline-2,3-dione
CID 78199524
7-(Bromomethyl)-8-fluoro-3-methylidenequinoxalin-2-one
CID 178188668
6-Aminoquinoxaline-2,3-dione
CID 18941541
3-Methylidenequinoxalin-2-one
CID 154123936
6-Methylidene-1,5-naphthyridin-2-one
CID 72760494
6-Methyl-3-methylidenequinoxalin-2-one
CID 73037763
6-Amino-3-methylidenequinoxalin-2-one
CID 73183693
6-Aminoquinoxaline-2,3-dione;hydrochloride
CID 73859224
3-amino-4aH-quinolin-2-one
CID 76153695

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methylidenequinoxalin-2-one?
The IUPAC name of 6-fluoro-3-methylidenequinoxalin-2-one (CID 73071378) is 6-fluoro-3-methylidenequinoxalin-2-one.
What is the SMILES notation for 6-fluoro-3-methylidenequinoxalin-2-one?
The canonical SMILES for 6-fluoro-3-methylidenequinoxalin-2-one is C=C1N=c2cc(F)ccc2=NC1=O.
What is the InChIKey of 6-fluoro-3-methylidenequinoxalin-2-one?
The InChIKey is ZSSHIVAOCRCVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O/c1-5-9(13)12-7-3-2-6(10)4-8(7)11-5/h2-4H,1H2.
What are the key properties of 6-fluoro-3-methylidenequinoxalin-2-one?
6-fluoro-3-methylidenequinoxalin-2-one has a molecular weight of 176.15 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methylidenequinoxalin-2-one is sourced from PubChem (CID 73071378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).