2-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclopentene-1-carbonitrile

C12H14N2O — CID 168685134

IUPAC2-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclopentene-1-carbonitrile
SMILESC=CC1CC(=O)N(C2=C(C#N)CCC2)C1
InChIInChI=1S/C12H14N2O/c1-2-9-6-12(15)14(8-9)11-5-3-4-10(11)7-13/h2,9H,1,3-6,8H2
InChIKeyQBXFECKTKRIOKS-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.98
Rot. Bonds2

About 2-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclopentene-1-carbonitrile

2-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclopentene-1-carbonitrile (PubChem CID 168685134) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclopentene-1-carbonitrile.

Molecular Properties

Compound Name2-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclopentene-1-carbonitrile
PubChem CID168685134
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclopentene-1-carbonitrile
SMILESC=CC1CC(=O)N(C2=C(C#N)CCC2)C1
InChIInChI=1S/C12H14N2O/c1-2-9-6-12(15)14(8-9)11-5-3-4-10(11)7-13/h2,9H,1,3-6,8H2
InChIKeyQBXFECKTKRIOKS-UHFFFAOYSA-N
XLogP1.98
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-cyanocyclopenten-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681812
4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzene-1,2-dicarbonitrile
CID 168685791
5-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-pyrrolidin-1-ylbenzonitrile
CID 168685794
3-chloro-5-(4-ethenyl-2-oxopyrrolidin-1-yl)benzonitrile
CID 168686308
3-bromo-4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzonitrile
CID 168685980
2-chloro-4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile
CID 168686133
4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
CID 168686334
4-ethenyl-1-pyrimidin-2-ylpyrrolidin-2-one
CID 168686694
4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168684815
1-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carbonitrile
CID 168685153
1-(3,5-dibromo-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685536
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclopentene-1-carbonitrile?
The IUPAC name of 2-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclopentene-1-carbonitrile (CID 168685134) is 2-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclopentene-1-carbonitrile.
What is the SMILES notation for 2-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclopentene-1-carbonitrile?
The canonical SMILES for 2-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclopentene-1-carbonitrile is C=CC1CC(=O)N(C2=C(C#N)CCC2)C1.
What is the InChIKey of 2-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclopentene-1-carbonitrile?
The InChIKey is QBXFECKTKRIOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-9-6-12(15)14(8-9)11-5-3-4-10(11)7-13/h2,9H,1,3-6,8H2.
What are the key properties of 2-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclopentene-1-carbonitrile?
2-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclopentene-1-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclopentene-1-carbonitrile is sourced from PubChem (CID 168685134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).