(3Z)-3-ethylidene-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpyrrolidin-2-one

C16H19NO3S — CID 101219742

IUPAC(3Z)-3-ethylidene-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpyrrolidin-2-one
SMILESC=C(C)C1CN(S(=O)(=O)c2ccc(C)cc2)C(=O)/C1=C\C
InChIInChI=1S/C16H19NO3S/c1-5-14-15(11(2)3)10-17(16(14)18)21(19,20)13-8-6-12(4)7-9-13/h5-9,15H,2,10H2,1,3-4H3/b14-5-
InChIKeyGVRNKJWQIMYGOI-RZNTYIFUSA-N
MW305.40 g/mol
LogP2.66
Rot. Bonds3

About (3Z)-3-ethylidene-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpyrrolidin-2-one

(3Z)-3-ethylidene-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpyrrolidin-2-one (PubChem CID 101219742) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is (3Z)-3-ethylidene-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3Z)-3-ethylidene-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpyrrolidin-2-one
PubChem CID101219742
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name(3Z)-3-ethylidene-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpyrrolidin-2-one
SMILESC=C(C)C1CN(S(=O)(=O)c2ccc(C)cc2)C(=O)/C1=C\C
InChIInChI=1S/C16H19NO3S/c1-5-14-15(11(2)3)10-17(16(14)18)21(19,20)13-8-6-12(4)7-9-13/h5-9,15H,2,10H2,1,3-4H3/b14-5-
InChIKeyGVRNKJWQIMYGOI-RZNTYIFUSA-N
XLogP2.66
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(p-Toluenesulfonyl)-2-pyrrolidinone
CID 563071
1-tosyl-1H-pyrrol-2(5H)-one
CID 13427336
Azepan-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2308402
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
N-ethyl-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 2971751
N-cyclopropyl-1-[(4-methylphenyl)sulfonyl]-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 3396878
2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
CID 11099458
1-[(2,4,6-Trimethylphenyl)sulfonyl]pyrrolidin-2-one
CID 766932
N-isopropyl-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 978022
(4-Methylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 1539823
4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide
CID 3156904
4-[2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]ethyl]benzenesulfonamide
CID 132961426

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpyrrolidin-2-one?
The IUPAC name of (3Z)-3-ethylidene-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpyrrolidin-2-one (CID 101219742) is (3Z)-3-ethylidene-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpyrrolidin-2-one.
What is the SMILES notation for (3Z)-3-ethylidene-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpyrrolidin-2-one?
The canonical SMILES for (3Z)-3-ethylidene-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpyrrolidin-2-one is C=C(C)C1CN(S(=O)(=O)c2ccc(C)cc2)C(=O)/C1=C\C.
What is the InChIKey of (3Z)-3-ethylidene-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpyrrolidin-2-one?
The InChIKey is GVRNKJWQIMYGOI-RZNTYIFUSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-5-14-15(11(2)3)10-17(16(14)18)21(19,20)13-8-6-12(4)7-9-13/h5-9,15H,2,10H2,1,3-4H3/b14-5-.
What are the key properties of (3Z)-3-ethylidene-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpyrrolidin-2-one?
(3Z)-3-ethylidene-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpyrrolidin-2-one has a molecular weight of 305.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpyrrolidin-2-one is sourced from PubChem (CID 101219742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).