1-[(2E,5Z)-octa-2,5-dien-3-yl]pyrrolidin-2-one

C12H19NO — CID 143497562

IUPAC1-[(2E,5Z)-octa-2,5-dien-3-yl]pyrrolidin-2-one
SMILESC/C=C(\C/C=C\CC)N1CCCC1=O
InChIInChI=1S/C12H19NO/c1-3-5-6-8-11(4-2)13-10-7-9-12(13)14/h4-6H,3,7-10H2,1-2H3/b6-5-,11-4+
InChIKeyOYDFBMVAYWTKAQ-VWXLBWAMSA-N
MW193.29 g/mol
LogP2.87
Rot. Bonds4

About 1-[(2E,5Z)-octa-2,5-dien-3-yl]pyrrolidin-2-one

1-[(2E,5Z)-octa-2,5-dien-3-yl]pyrrolidin-2-one (PubChem CID 143497562) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[(2E,5Z)-octa-2,5-dien-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2E,5Z)-octa-2,5-dien-3-yl]pyrrolidin-2-one
PubChem CID143497562
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-[(2E,5Z)-octa-2,5-dien-3-yl]pyrrolidin-2-one
SMILESC/C=C(\C/C=C\CC)N1CCCC1=O
InChIInChI=1S/C12H19NO/c1-3-5-6-8-11(4-2)13-10-7-9-12(13)14/h4-6H,3,7-10H2,1-2H3/b6-5-,11-4+
InChIKeyOYDFBMVAYWTKAQ-VWXLBWAMSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(2E,5Z)-octa-2,5-dien-3-yl]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 1-[(2E,5Z)-octa-2,5-dien-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2E,5Z)-octa-2,5-dien-3-yl]pyrrolidin-2-one (CID 143497562) is 1-[(2E,5Z)-octa-2,5-dien-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2E,5Z)-octa-2,5-dien-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2E,5Z)-octa-2,5-dien-3-yl]pyrrolidin-2-one is C/C=C(\C/C=C\CC)N1CCCC1=O.
What is the InChIKey of 1-[(2E,5Z)-octa-2,5-dien-3-yl]pyrrolidin-2-one?
The InChIKey is OYDFBMVAYWTKAQ-VWXLBWAMSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-5-6-8-11(4-2)13-10-7-9-12(13)14/h4-6H,3,7-10H2,1-2H3/b6-5-,11-4+.
What are the key properties of 1-[(2E,5Z)-octa-2,5-dien-3-yl]pyrrolidin-2-one?
1-[(2E,5Z)-octa-2,5-dien-3-yl]pyrrolidin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,5Z)-octa-2,5-dien-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 143497562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).