(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one

C11H12ClNO — CID 124634608

IUPAC(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one
SMILESCc1cc([C@H]2CNC(=O)C2)ccc1Cl
InChIInChI=1S/C11H12ClNO/c1-7-4-8(2-3-10(7)12)9-5-11(14)13-6-9/h2-4,9H,5-6H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeySZPUGSDFQFLELE-SECBINFHSA-N
MW209.68 g/mol
LogP2.25
Rot. Bonds1

About (4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one

(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one (PubChem CID 124634608) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is (4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one
PubChem CID124634608
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one
SMILESCc1cc([C@H]2CNC(=O)C2)ccc1Cl
InChIInChI=1S/C11H12ClNO/c1-7-4-8(2-3-10(7)12)9-5-11(14)13-6-9/h2-4,9H,5-6H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeySZPUGSDFQFLELE-SECBINFHSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-amino-3-methylphenyl)pyrrolidin-2-one
CID 53417806
(4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 124634597
4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170
4-[2-chloro-5-[(3R)-5-oxopyrrolidin-3-yl]phenyl]benzoic acid
CID 66725141
N-[2-chloro-5-(5-oxopyrrolidin-3-yl)phenyl]-2,2,2-trifluoroacetamide
CID 91458106
(4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid
CID 142352390
3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride
CID 169498285
(4R)-4-(6-amino-5-methyl-3-pyridinyl)pyrrolidin-2-one
CID 124634670
(4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one
CID 124634560
[3-(5-oxopyrrolidin-3-yl)phenyl]azanium
CID 140682404
3-(4-chloro-3-methylphenyl)-2,3,4,7-tetrahydro-1H-azepine
CID 71541194
4-(4-amino-3-fluorophenyl)pyrrolidin-2-one
CID 53417800

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one (CID 124634608) is (4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one is Cc1cc([C@H]2CNC(=O)C2)ccc1Cl.
What is the InChIKey of (4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one?
The InChIKey is SZPUGSDFQFLELE-SECBINFHSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-7-4-8(2-3-10(7)12)9-5-11(14)13-6-9/h2-4,9H,5-6H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one?
(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one has a molecular weight of 209.68 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 124634608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).