1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one

C16H17N3O — CID 168684643

IUPAC1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc3nc(C)c(C)nc3c2)C1
InChIInChI=1S/C16H17N3O/c1-4-12-7-16(20)19(9-12)13-5-6-14-15(8-13)18-11(3)10(2)17-14/h4-6,8,12H,1,7,9H2,2-3H3
InChIKeyUDHMZFYSZRBNSJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.79
Rot. Bonds2

About 1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one

1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one (PubChem CID 168684643) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one
PubChem CID168684643
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc3nc(C)c(C)nc3c2)C1
InChIInChI=1S/C16H17N3O/c1-4-12-7-16(20)19(9-12)13-5-6-14-15(8-13)18-11(3)10(2)17-14/h4-6,8,12H,1,7,9H2,2-3H3
InChIKeyUDHMZFYSZRBNSJ-UHFFFAOYSA-N
XLogP2.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675834
4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168684815
4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168684777
1-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168684975
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949
4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzene-1,2-dicarbonitrile
CID 168685791
1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686355
4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
CID 168686334
1-(3-bromo-4-chlorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685785
4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 168685050
4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one
CID 168684610
4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168684859

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one (CID 168684643) is 1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2ccc3nc(C)c(C)nc3c2)C1.
What is the InChIKey of 1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one?
The InChIKey is UDHMZFYSZRBNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-4-12-7-16(20)19(9-12)13-5-6-14-15(8-13)18-11(3)10(2)17-14/h4-6,8,12H,1,7,9H2,2-3H3.
What are the key properties of 1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one?
1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168684643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).