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'}

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Related Compounds

(NZ)-N'-ethyl-2-oxo-N-propylidenepyrrolidine-1-carboximidamide
CID 144779448
1-(1-oxodeca-1,3-dien-4-yl)azepan-2-one
CID 57200818
1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one
CID 122646586
propyl 2-oxopyrrolidine-1-carboxylate
CID 54526452
3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate
CID 59148760
1-[(E)-1-iodooct-1-enyl]pyrrolidin-2-one
CID 134921298
1-decanoylpyrrolidin-2-one
CID 11021000
2-oxopyrrolidine-1-carboxylic acid;zinc
CID 174972169
1-[(E)-but-2-enoyl]piperidin-2-one
CID 101396423
1-(2-aminoacetyl)pyrrolidin-2-one
CID 55208573
N-methyl-2-oxopyrrolidine-1-carboxamide
CID 18176273
1-[(E)-1-bromooct-1-enyl]pyrrolidin-2-one
CID 134988277

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).