4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one

C12H14ClNO — CID 168688073

IUPAC4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(Cl)CC2=O)c(C)c1
InChIInChI=1S/C12H14ClNO/c1-8-3-4-11(9(2)5-8)14-7-10(13)6-12(14)15/h3-5,10H,6-7H2,1-2H3
InChIKeyIFYFHQSTVNUUKC-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.65
Rot. Bonds1

About 4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one

4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one (PubChem CID 168688073) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one
PubChem CID168688073
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(Cl)CC2=O)c(C)c1
InChIInChI=1S/C12H14ClNO/c1-8-3-4-11(9(2)5-8)14-7-10(13)6-12(14)15/h3-5,10H,6-7H2,1-2H3
InChIKeyIFYFHQSTVNUUKC-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688085
1-(2-bromo-4-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688070
1-(2-amino-3,5-dimethylphenyl)-4-chloropyrrolidin-2-one
CID 168688113
methyl 4-(4-chloro-2-oxopyrrolidin-1-yl)-3-methylbenzoate
CID 168688036
2-(4-chloro-2-oxopyrrolidin-1-yl)-4-methylbenzonitrile
CID 168688079
4-chloro-1-(2-methyl-4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 168688054
[1-(2,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673300
ethyl (3R)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075680
(3,5-dimethylphenyl) (3S)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057422
(3R)-1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 26615651
N-(3-chloropropyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17152061
4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one
CID 168688338

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one (CID 168688073) is 4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC(Cl)CC2=O)c(C)c1.
What is the InChIKey of 4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is IFYFHQSTVNUUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-8-3-4-11(9(2)5-8)14-7-10(13)6-12(14)15/h3-5,10H,6-7H2,1-2H3.
What are the key properties of 4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one?
4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 223.70 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168688073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).