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

C12H17NO — CID 144584697

IUPAC4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
SMILESC/C=C\C1=C(/C=C\CC)CC(=O)N1C
InChIInChI=1S/C12H17NO/c1-4-6-8-10-9-12(14)13(3)11(10)7-5-2/h5-8H,4,9H2,1-3H3/b7-5-,8-6-
InChIKeySJGALDWXSRLNAU-SFECMWDFSA-N
MW191.27 g/mol
LogP2.64
Rot. Bonds3

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

4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one (PubChem CID 144584697) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
PubChem CID144584697
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
SMILESC/C=C\C1=C(/C=C\CC)CC(=O)N1C
InChIInChI=1S/C12H17NO/c1-4-6-8-10-9-12(14)13(3)11(10)7-5-2/h5-8H,4,9H2,1-3H3/b7-5-,8-6-
InChIKeySJGALDWXSRLNAU-SFECMWDFSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.64
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
CID 145617019
8-Methylpyrido[1,2-a]azepin-6(7H)-one
CID 15129811
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?
The IUPAC name of 4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one (CID 144584697) is 4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The canonical SMILES for 4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one is C/C=C\C1=C(/C=C\CC)CC(=O)N1C.
What is the InChIKey of 4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The InChIKey is SJGALDWXSRLNAU-SFECMWDFSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-6-8-10-9-12(14)13(3)11(10)7-5-2/h5-8H,4,9H2,1-3H3/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?
4-[(Z)-but-1-enyl]-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.64, 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 is sourced from PubChem (CID 144584697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).