(3S)-3-ethyl-1-(4-methoxyphenyl)-3-[(E)-2-thiophen-3-ylethenyl]pyrrolidin-2-one

C19H21NO2S — CID 154732605

IUPAC(3S)-3-ethyl-1-(4-methoxyphenyl)-3-[(E)-2-thiophen-3-ylethenyl]pyrrolidin-2-one
SMILESCC[C@@]1(/C=C/c2ccsc2)CCN(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C19H21NO2S/c1-3-19(10-8-15-9-13-23-14-15)11-12-20(18(19)21)16-4-6-17(22-2)7-5-16/h4-10,13-14H,3,11-12H2,1-2H3/b10-8+/t19-/m1/s1
InChIKeyWDABLXTUYRFDJF-LHUXKHBRSA-N
MW327.45 g/mol
LogP4.60
Rot. Bonds5

About (3S)-3-ethyl-1-(4-methoxyphenyl)-3-[(E)-2-thiophen-3-ylethenyl]pyrrolidin-2-one

(3S)-3-ethyl-1-(4-methoxyphenyl)-3-[(E)-2-thiophen-3-ylethenyl]pyrrolidin-2-one (PubChem CID 154732605) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is (3S)-3-ethyl-1-(4-methoxyphenyl)-3-[(E)-2-thiophen-3-ylethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-ethyl-1-(4-methoxyphenyl)-3-[(E)-2-thiophen-3-ylethenyl]pyrrolidin-2-one
PubChem CID154732605
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name(3S)-3-ethyl-1-(4-methoxyphenyl)-3-[(E)-2-thiophen-3-ylethenyl]pyrrolidin-2-one
SMILESCC[C@@]1(/C=C/c2ccsc2)CCN(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C19H21NO2S/c1-3-19(10-8-15-9-13-23-14-15)11-12-20(18(19)21)16-4-6-17(22-2)7-5-16/h4-10,13-14H,3,11-12H2,1-2H3/b10-8+/t19-/m1/s1
InChIKeyWDABLXTUYRFDJF-LHUXKHBRSA-N
XLogP4.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one
CID 155071229
8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one
CID 52911976
(3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one
CID 155071218
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
1-[(4-methoxyphenyl)methyl]-5-(thiophen-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2870601
1-(4-methoxyphenyl)-3-methyl-4-thiophen-3-ylsulfonylpiperazin-2-one
CID 56909651
(3S)-1-(4-methoxyphenyl)-3-methyl-4-(thiophene-3-carbonyl)piperazin-2-one
CID 96579371
[1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate
CID 130404562
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
3-amino-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-one
CID 129101227
3-(dihydroxymethylidene)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 86326055
1-(4-methoxyphenyl)piperazin-2-one
CID 15400020

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-1-(4-methoxyphenyl)-3-[(E)-2-thiophen-3-ylethenyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-ethyl-1-(4-methoxyphenyl)-3-[(E)-2-thiophen-3-ylethenyl]pyrrolidin-2-one (CID 154732605) is (3S)-3-ethyl-1-(4-methoxyphenyl)-3-[(E)-2-thiophen-3-ylethenyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-ethyl-1-(4-methoxyphenyl)-3-[(E)-2-thiophen-3-ylethenyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-ethyl-1-(4-methoxyphenyl)-3-[(E)-2-thiophen-3-ylethenyl]pyrrolidin-2-one is CC[C@@]1(/C=C/c2ccsc2)CCN(c2ccc(OC)cc2)C1=O.
What is the InChIKey of (3S)-3-ethyl-1-(4-methoxyphenyl)-3-[(E)-2-thiophen-3-ylethenyl]pyrrolidin-2-one?
The InChIKey is WDABLXTUYRFDJF-LHUXKHBRSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-3-19(10-8-15-9-13-23-14-15)11-12-20(18(19)21)16-4-6-17(22-2)7-5-16/h4-10,13-14H,3,11-12H2,1-2H3/b10-8+/t19-/m1/s1.
What are the key properties of (3S)-3-ethyl-1-(4-methoxyphenyl)-3-[(E)-2-thiophen-3-ylethenyl]pyrrolidin-2-one?
(3S)-3-ethyl-1-(4-methoxyphenyl)-3-[(E)-2-thiophen-3-ylethenyl]pyrrolidin-2-one has a molecular weight of 327.45 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-1-(4-methoxyphenyl)-3-[(E)-2-thiophen-3-ylethenyl]pyrrolidin-2-one is sourced from PubChem (CID 154732605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).