6-amino-3-methylidenequinoxalin-2-one

C9H7N3O — CID 73183693

IUPAC6-amino-3-methylidenequinoxalin-2-one
SMILESC=C1N=c2cc(N)ccc2=NC1=O
InChIInChI=1S/C9H7N3O/c1-5-9(13)12-7-3-2-6(10)4-8(7)11-5/h2-4H,1,10H2
InChIKeyGOELFKMPJGVQMF-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.44
Rot. Bonds

About 6-amino-3-methylidenequinoxalin-2-one

6-amino-3-methylidenequinoxalin-2-one (PubChem CID 73183693) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 6-amino-3-methylidenequinoxalin-2-one.

Molecular Properties

Compound Name6-amino-3-methylidenequinoxalin-2-one
PubChem CID73183693
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name6-amino-3-methylidenequinoxalin-2-one
SMILESC=C1N=c2cc(N)ccc2=NC1=O
InChIInChI=1S/C9H7N3O/c1-5-9(13)12-7-3-2-6(10)4-8(7)11-5/h2-4H,1,10H2
InChIKeyGOELFKMPJGVQMF-UHFFFAOYSA-N
XLogP-0.44
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Aminobenzazepinone
CID 22243685
7-Amino-1,5-benzo-diazepin-2-one
CID 129871683
6-Fluoro-3-methylidenequinoxalin-2-one
CID 73071378
7-Fluoro-3-methylidenequinoxalin-2-one
CID 73866769
6-Amino-7-methylquinoxaline-2,3-dione
CID 18941525
6-Aminoquinoxaline-2,3-dione
CID 18941541
7-Amino-5-chloroquinoxaline-2,3-dione
CID 19422400
6-Amino-7-chloroquinoxaline-2,3-dione
CID 19700090
5-Aminoquinoxaline-2,3-dione
CID 22097109
6,7-Diaminoquinoxaline-2,3-dione
CID 53435401
3-Amino-1,5-benzodiazepin-2-one
CID 54546721
7-Aminobenzo[d][1]benzazepin-6-one
CID 68983033

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methylidenequinoxalin-2-one?
The IUPAC name of 6-amino-3-methylidenequinoxalin-2-one (CID 73183693) is 6-amino-3-methylidenequinoxalin-2-one.
What is the SMILES notation for 6-amino-3-methylidenequinoxalin-2-one?
The canonical SMILES for 6-amino-3-methylidenequinoxalin-2-one is C=C1N=c2cc(N)ccc2=NC1=O.
What is the InChIKey of 6-amino-3-methylidenequinoxalin-2-one?
The InChIKey is GOELFKMPJGVQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-5-9(13)12-7-3-2-6(10)4-8(7)11-5/h2-4H,1,10H2.
What are the key properties of 6-amino-3-methylidenequinoxalin-2-one?
6-amino-3-methylidenequinoxalin-2-one has a molecular weight of 173.17 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methylidenequinoxalin-2-one is sourced from PubChem (CID 73183693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).