ethane;(3E)-3-ethylidene-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-one

C14H21NO — CID 143284559

IUPACethane;(3E)-3-ethylidene-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-one
SMILESC/C=C\C1=C(/C=C\C)/C(=C\C)C(=O)N1.CC
InChIInChI=1S/C12H15NO.C2H6/c1-4-7-10-9(6-3)12(14)13-11(10)8-5-2;1-2/h4-8H,1-3H3,(H,13,14);1-2H3/b7-4-,8-5-,9-6+;
InChIKeyHPWYNDCNWKFRDP-STDJSBHPSA-N
MW219.33 g/mol
LogP3.49
Rot. Bonds2

About ethane;(3E)-3-ethylidene-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-one

ethane;(3E)-3-ethylidene-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-one (PubChem CID 143284559) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is ethane;(3E)-3-ethylidene-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-one.

Molecular Properties

Compound Nameethane;(3E)-3-ethylidene-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-one
PubChem CID143284559
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nameethane;(3E)-3-ethylidene-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-one
SMILESC/C=C\C1=C(/C=C\C)/C(=C\C)C(=O)N1.CC
InChIInChI=1S/C12H15NO.C2H6/c1-4-7-10-9(6-3)12(14)13-11(10)8-5-2;1-2/h4-8H,1-3H3,(H,13,14);1-2H3/b7-4-,8-5-,9-6+;
InChIKeyHPWYNDCNWKFRDP-STDJSBHPSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-enamide
CID 44386608
3-Methyl-6-propyl-1h-pyridin-2-one
CID 12354332
1,4-dimethyl-2H-isoquinolin-3-one
CID 15252083
N-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide
CID 67558352
3-ethyl-6-methyl-1H-pyridin-2-one
CID 2797876
N-(6-fluorohept-3-en-4-yl)-2-methylbut-2-enamide
CID 123653736
N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 141293212
4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one
CID 143920331
5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1,3-dihydropyrrol-2-one
CID 143920333
5-fluoro-6-methyl-3-propan-2-yl-1H-pyridin-2-one
CID 162777670
5-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one
CID 164837312
3-ethyl-5-fluoro-6-methyl-1H-pyridin-2-one
CID 167302086

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-3-ethylidene-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-one?
The IUPAC name of ethane;(3E)-3-ethylidene-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-one (CID 143284559) is ethane;(3E)-3-ethylidene-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-one.
What is the SMILES notation for ethane;(3E)-3-ethylidene-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-one?
The canonical SMILES for ethane;(3E)-3-ethylidene-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-one is C/C=C\C1=C(/C=C\C)/C(=C\C)C(=O)N1.CC.
What is the InChIKey of ethane;(3E)-3-ethylidene-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-one?
The InChIKey is HPWYNDCNWKFRDP-STDJSBHPSA-N. The full InChI is InChI=1S/C12H15NO.C2H6/c1-4-7-10-9(6-3)12(14)13-11(10)8-5-2;1-2/h4-8H,1-3H3,(H,13,14);1-2H3/b7-4-,8-5-,9-6+;.
What are the key properties of ethane;(3E)-3-ethylidene-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-one?
ethane;(3E)-3-ethylidene-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-one has a molecular weight of 219.33 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-3-ethylidene-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-one is sourced from PubChem (CID 143284559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).