ethane;1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]pyrrolidin-2-one

C15H25NO — CID 143332418

IUPACethane;1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]pyrrolidin-2-one
SMILESC=C/C=C\C(=C/C)C(C)N1CCCC1=O.CC
InChIInChI=1S/C13H19NO.C2H6/c1-4-6-8-12(5-2)11(3)14-10-7-9-13(14)15;1-2/h4-6,8,11H,1,7,9-10H2,2-3H3;1-2H3/b8-6-,12-5+;
InChIKeyJSOAFQYFFOWSGW-PZSOITJBSA-N
MW235.37 g/mol
LogP3.71
Rot. Bonds4

About ethane;1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]pyrrolidin-2-one

ethane;1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]pyrrolidin-2-one (PubChem CID 143332418) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is ethane;1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Nameethane;1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]pyrrolidin-2-one
PubChem CID143332418
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Nameethane;1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]pyrrolidin-2-one
SMILESC=C/C=C\C(=C/C)C(C)N1CCCC1=O.CC
InChIInChI=1S/C13H19NO.C2H6/c1-4-6-8-12(5-2)11(3)14-10-7-9-13(14)15;1-2/h4-6,8,11H,1,7,9-10H2,2-3H3;1-2H3/b8-6-,12-5+;
InChIKeyJSOAFQYFFOWSGW-PZSOITJBSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.71
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

ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate
CID 22436158
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methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide
CID 143300675
1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one
CID 143373088
2-(2-oxopyrrolidin-1-yl)propanehydrazide
CID 13150926
1-hex-5-en-3-ylpyrrolidin-2-one
CID 66716495
2-(2-oxoazepan-1-yl)propanoic acid
CID 23005468
(Z)-N-[1-(2-oxopyrrolidin-1-yl)ethyl]but-2-enamide
CID 147026629
acetylene;1-propan-2-ylpyrrolidin-2-one
CID 178109061
2-(2-oxopyrrolidin-1-yl)pent-4-enamide
CID 70440707
1-[(2S)-pentan-2-yl]pyrrolidin-2-one
CID 102393193
(4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal
CID 143072769

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]pyrrolidin-2-one?
The IUPAC name of ethane;1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]pyrrolidin-2-one (CID 143332418) is ethane;1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]pyrrolidin-2-one.
What is the SMILES notation for ethane;1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]pyrrolidin-2-one?
The canonical SMILES for ethane;1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]pyrrolidin-2-one is C=C/C=C\C(=C/C)C(C)N1CCCC1=O.CC.
What is the InChIKey of ethane;1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]pyrrolidin-2-one?
The InChIKey is JSOAFQYFFOWSGW-PZSOITJBSA-N. The full InChI is InChI=1S/C13H19NO.C2H6/c1-4-6-8-12(5-2)11(3)14-10-7-9-13(14)15;1-2/h4-6,8,11H,1,7,9-10H2,2-3H3;1-2H3/b8-6-,12-5+;.
What are the key properties of ethane;1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]pyrrolidin-2-one?
ethane;1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]pyrrolidin-2-one has a molecular weight of 235.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 143332418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).