4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one

C11H12N2O — CID 131238216

IUPAC4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one
SMILESO=C1CC(/C=C/c2cccnc2)CN1
InChIInChI=1S/C11H12N2O/c14-11-6-10(8-13-11)4-3-9-2-1-5-12-7-9/h1-5,7,10H,6,8H2,(H,13,14)/b4-3+
InChIKeyKIIGERBRGIEAKI-ONEGZZNKSA-N
MW188.23 g/mol
LogP1.23
Rot. Bonds2

About 4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one

4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one (PubChem CID 131238216) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one
PubChem CID131238216
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one
SMILESO=C1CC(/C=C/c2cccnc2)CN1
InChIInChI=1S/C11H12N2O/c14-11-6-10(8-13-11)4-3-9-2-1-5-12-7-9/h1-5,7,10H,6,8H2,(H,13,14)/b4-3+
InChIKeyKIIGERBRGIEAKI-ONEGZZNKSA-N
XLogP1.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one?
The IUPAC name of 4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one (CID 131238216) is 4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one is O=C1CC(/C=C/c2cccnc2)CN1.
What is the InChIKey of 4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one?
The InChIKey is KIIGERBRGIEAKI-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H12N2O/c14-11-6-10(8-13-11)4-3-9-2-1-5-12-7-9/h1-5,7,10H,6,8H2,(H,13,14)/b4-3+.
What are the key properties of 4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one?
4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one is sourced from PubChem (CID 131238216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).