4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one;ethane

C14H23NO — CID 144584696

IUPAC4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one;ethane
SMILESC/C=C\C1=C(/C=C\CC)CC(=O)N1C.CC
InChIInChI=1S/C12H17NO.C2H6/c1-4-6-8-10-9-12(14)13(3)11(10)7-5-2;1-2/h5-8H,4,9H2,1-3H3;1-2H3/b7-5-,8-6-;
InChIKeyZXWMOYNNGZKJIQ-OVDGFJEXSA-N
MW221.34 g/mol
LogP3.67
Rot. Bonds3

About 4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one;ethane

4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one;ethane (PubChem CID 144584696) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one;ethane.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one;ethane
PubChem CID144584696
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one;ethane
SMILESC/C=C\C1=C(/C=C\CC)CC(=O)N1C.CC
InChIInChI=1S/C12H17NO.C2H6/c1-4-6-8-10-9-12(14)13(3)11(10)7-5-2;1-2/h5-8H,4,9H2,1-3H3;1-2H3/b7-5-,8-6-;
InChIKeyZXWMOYNNGZKJIQ-OVDGFJEXSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one
CID 143273338
Ethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one
CID 145414209
4,5-Bis(ethenyl)-3,3-difluoro-1-methylpyrrol-2-one
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8-Methylpyrido[1,2-a]azepin-6(7H)-one
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10-methyl-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]azepin-6-one
CID 11298275
10-Methyl-2,3,7,8-tetrahydropyrido[1,2-a]azepin-4(6h)-one
CID 11446659
(4E)-N,N,6-trimethylhepta-4,6-dienamide
CID 13483524
4H-Quinolizin-4-one, 2,3,6,7-tetrahydro-9-methyl-
CID 45088796
1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one
CID 102245924
1,4-Dimethyl-5-propan-2-ylidenepyrrol-2-one
CID 134831218
4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide
CID 134993704
1-methyl-6-[(E)-2-tributylstannylethenyl]-3,4-dihydropyridin-2-one
CID 135008470

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one;ethane?
The IUPAC name of 4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one;ethane (CID 144584696) is 4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one;ethane.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one;ethane?
The canonical SMILES for 4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one;ethane is C/C=C\C1=C(/C=C\CC)CC(=O)N1C.CC.
What is the InChIKey of 4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one;ethane?
The InChIKey is ZXWMOYNNGZKJIQ-OVDGFJEXSA-N. The full InChI is InChI=1S/C12H17NO.C2H6/c1-4-6-8-10-9-12(14)13(3)11(10)7-5-2;1-2/h5-8H,4,9H2,1-3H3;1-2H3/b7-5-,8-6-;.
What are the key properties of 4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one;ethane?
4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one;ethane has a molecular weight of 221.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one;ethane is sourced from PubChem (CID 144584696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).