4-(2-chlorophenyl)-3-(2-oxobut-3-enylsulfanyl)azetidin-2-one

C13H12ClNO2S — CID 91326993

IUPAC4-(2-chlorophenyl)-3-(2-oxobut-3-enylsulfanyl)azetidin-2-one
SMILESC=CC(=O)CSC1C(=O)NC1c1ccccc1Cl
InChIInChI=1S/C13H12ClNO2S/c1-2-8(16)7-18-12-11(15-13(12)17)9-5-3-4-6-10(9)14/h2-6,11-12H,1,7H2,(H,15,17)
InChIKeyREAAPENEJSOINK-UHFFFAOYSA-N
MW281.76 g/mol
LogP2.37
Rot. Bonds5

About 4-(2-chlorophenyl)-3-(2-oxobut-3-enylsulfanyl)azetidin-2-one

4-(2-chlorophenyl)-3-(2-oxobut-3-enylsulfanyl)azetidin-2-one (PubChem CID 91326993) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-(2-oxobut-3-enylsulfanyl)azetidin-2-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-(2-oxobut-3-enylsulfanyl)azetidin-2-one
PubChem CID91326993
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name4-(2-chlorophenyl)-3-(2-oxobut-3-enylsulfanyl)azetidin-2-one
SMILESC=CC(=O)CSC1C(=O)NC1c1ccccc1Cl
InChIInChI=1S/C13H12ClNO2S/c1-2-8(16)7-18-12-11(15-13(12)17)9-5-3-4-6-10(9)14/h2-6,11-12H,1,7H2,(H,15,17)
InChIKeyREAAPENEJSOINK-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-chlorophenyl)-3-(2-oxobut-3-enylsulfanyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-2-enyl 6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2864799
prop-2-enyl (6S)-6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 7108799
benzyl N-[(2R,3S,4S)-2-(2-chlorophenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate
CID 154598009
4-amino-5-(2-chlorophenyl)pyrrolidin-2-one
CID 82284114
2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide
CID 75503443
(5R,6S)-5-(2-chlorophenyl)-6-(1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-3-one
CID 134711176
ethyl (2R,3R)-2-(2-chlorophenyl)pyrrolidine-3-carboxylate
CID 129452981
(2S,3R,6S)-2-(2-chlorophenyl)-6-hydroxy-3-methylcyclohexan-1-one
CID 162743072
(5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one
CID 134699286
(2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 51982847
3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one
CID 75503478
(2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide
CID 134701550

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-(2-oxobut-3-enylsulfanyl)azetidin-2-one?
The IUPAC name of 4-(2-chlorophenyl)-3-(2-oxobut-3-enylsulfanyl)azetidin-2-one (CID 91326993) is 4-(2-chlorophenyl)-3-(2-oxobut-3-enylsulfanyl)azetidin-2-one.
What is the SMILES notation for 4-(2-chlorophenyl)-3-(2-oxobut-3-enylsulfanyl)azetidin-2-one?
The canonical SMILES for 4-(2-chlorophenyl)-3-(2-oxobut-3-enylsulfanyl)azetidin-2-one is C=CC(=O)CSC1C(=O)NC1c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-3-(2-oxobut-3-enylsulfanyl)azetidin-2-one?
The InChIKey is REAAPENEJSOINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-2-8(16)7-18-12-11(15-13(12)17)9-5-3-4-6-10(9)14/h2-6,11-12H,1,7H2,(H,15,17).
What are the key properties of 4-(2-chlorophenyl)-3-(2-oxobut-3-enylsulfanyl)azetidin-2-one?
4-(2-chlorophenyl)-3-(2-oxobut-3-enylsulfanyl)azetidin-2-one has a molecular weight of 281.76 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-(2-oxobut-3-enylsulfanyl)azetidin-2-one is sourced from PubChem (CID 91326993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).