1-[(3Z)-3-ethenylhexa-3,5-dienyl]pyrrolidin-2-one

C12H17NO — CID 142459323

IUPAC1-[(3Z)-3-ethenylhexa-3,5-dienyl]pyrrolidin-2-one
SMILESC=C/C=C(\C=C)CCN1CCCC1=O
InChIInChI=1S/C12H17NO/c1-3-6-11(4-2)8-10-13-9-5-7-12(13)14/h3-4,6H,1-2,5,7-10H2/b11-6+
InChIKeySFFZSUWUALUXLO-IZZDOVSWSA-N
MW191.27 g/mol
LogP2.30
Rot. Bonds5

About 1-[(3Z)-3-ethenylhexa-3,5-dienyl]pyrrolidin-2-one

1-[(3Z)-3-ethenylhexa-3,5-dienyl]pyrrolidin-2-one (PubChem CID 142459323) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[(3Z)-3-ethenylhexa-3,5-dienyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3Z)-3-ethenylhexa-3,5-dienyl]pyrrolidin-2-one
PubChem CID142459323
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[(3Z)-3-ethenylhexa-3,5-dienyl]pyrrolidin-2-one
SMILESC=C/C=C(\C=C)CCN1CCCC1=O
InChIInChI=1S/C12H17NO/c1-3-6-11(4-2)8-10-13-9-5-7-12(13)14/h3-4,6H,1-2,5,7-10H2/b11-6+
InChIKeySFFZSUWUALUXLO-IZZDOVSWSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
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CID 174828980
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2-(2-oxopyrrolidin-1-yl)ethylazanium
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1-(2-silylethyl)pyrrolidin-2-one
CID 154480854
N-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide
CID 155217075
3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid
CID 129048427
azane;1-(2-bromoethyl)pyrrolidin-2-one
CID 174693933
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
carbamodithioic acid;1-prop-2-enylpyrrolidin-2-one
CID 175478973

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3-ethenylhexa-3,5-dienyl]pyrrolidin-2-one?
The IUPAC name of 1-[(3Z)-3-ethenylhexa-3,5-dienyl]pyrrolidin-2-one (CID 142459323) is 1-[(3Z)-3-ethenylhexa-3,5-dienyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3Z)-3-ethenylhexa-3,5-dienyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3Z)-3-ethenylhexa-3,5-dienyl]pyrrolidin-2-one is C=C/C=C(\C=C)CCN1CCCC1=O.
What is the InChIKey of 1-[(3Z)-3-ethenylhexa-3,5-dienyl]pyrrolidin-2-one?
The InChIKey is SFFZSUWUALUXLO-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-6-11(4-2)8-10-13-9-5-7-12(13)14/h3-4,6H,1-2,5,7-10H2/b11-6+.
What are the key properties of 1-[(3Z)-3-ethenylhexa-3,5-dienyl]pyrrolidin-2-one?
1-[(3Z)-3-ethenylhexa-3,5-dienyl]pyrrolidin-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3-ethenylhexa-3,5-dienyl]pyrrolidin-2-one is sourced from PubChem (CID 142459323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).