4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one

C10H10ClNOS — CID 168689243

IUPAC4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1ccc(S)cc1
InChIInChI=1S/C10H10ClNOS/c11-7-5-10(13)12(6-7)8-1-3-9(14)4-2-8/h1-4,7,14H,5-6H2
InChIKeyBIYQZSTXZCCNLQ-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.32
Rot. Bonds1

About 4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one

4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one (PubChem CID 168689243) has the molecular formula C10H10ClNOS and a molecular weight of 227.72 g/mol. Its IUPAC name is 4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one
PubChem CID168689243
Molecular FormulaC10H10ClNOS
Molecular Weight227.72 g/mol
Exact Mass227.02
IUPAC Name4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1ccc(S)cc1
InChIInChI=1S/C10H10ClNOS/c11-7-5-10(13)12(6-7)8-1-3-9(14)4-2-8/h1-4,7,14H,5-6H2
InChIKeyBIYQZSTXZCCNLQ-UHFFFAOYSA-N
XLogP2.32
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-(4-chlorophenyl)pyrrolidin-2-one
CID 168689223
4-chloro-1-(4-iodophenyl)pyrrolidin-2-one
CID 168689225
4-chloro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
CID 168687248
4-chloro-1-[4-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 168687750
S-[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl] ethanethioate
CID 168706673
1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688048
[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592
4-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 168689188
1-(3-aminophenyl)-4-chloropyrrolidin-2-one
CID 168689822
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chloropyrrolidin-2-one
CID 168689905
S-[[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methyl] ethanethioate
CID 168668268
4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one
CID 168687443

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one (CID 168689243) is 4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one is O=C1CC(Cl)CN1c1ccc(S)cc1.
What is the InChIKey of 4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one?
The InChIKey is BIYQZSTXZCCNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS/c11-7-5-10(13)12(6-7)8-1-3-9(14)4-2-8/h1-4,7,14H,5-6H2.
What are the key properties of 4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one?
4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one has a molecular weight of 227.72 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168689243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).