4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one

C15H15N3O — CID 168685460

IUPAC4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(Cc2ccc3nccnc3c2)C1
InChIInChI=1S/C15H15N3O/c1-2-11-8-15(19)18(9-11)10-12-3-4-13-14(7-12)17-6-5-16-13/h2-7,11H,1,8-10H2
InChIKeyVLXFDSVXESOTJS-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.16
Rot. Bonds3

About 4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one

4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one (PubChem CID 168685460) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one
PubChem CID168685460
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(Cc2ccc3nccnc3c2)C1
InChIInChI=1S/C15H15N3O/c1-2-11-8-15(19)18(9-11)10-12-3-4-13-14(7-12)17-6-5-16-13/h2-7,11H,1,8-10H2
InChIKeyVLXFDSVXESOTJS-UHFFFAOYSA-N
XLogP2.16
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethynyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one
CID 168501821
4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
CID 168685494
4-ethenyl-1-(quinoxalin-2-ylmethyl)pyrrolidin-2-one
CID 168685508
4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one
CID 168685510
4-ethenyl-1-(isoquinolin-3-ylmethyl)pyrrolidin-2-one
CID 168685452
4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one
CID 168663108
4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one
CID 168684919
[5-oxo-1-(quinolin-7-ylmethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673807
5-oxo-1-(2-quinoxalin-6-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714914
1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one
CID 168685445
1-[(3-chloro-2-fluorophenyl)methyl]-4-ethenylpyrrolidin-2-one
CID 168685468
tert-butyl N-[3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]phenyl]carbamate
CID 168683912

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one (CID 168685460) is 4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one is C=CC1CC(=O)N(Cc2ccc3nccnc3c2)C1.
What is the InChIKey of 4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one?
The InChIKey is VLXFDSVXESOTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-11-8-15(19)18(9-11)10-12-3-4-13-14(7-12)17-6-5-16-13/h2-7,11H,1,8-10H2.
What are the key properties of 4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one?
4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168685460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).