(2-chloro-5-methylphenyl) 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

C17H20ClNO3 — CID 78791620

IUPAC(2-chloro-5-methylphenyl) 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(Cl)c(OC(=O)C2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C17H20ClNO3/c1-11-6-7-14(18)15(8-11)22-17(21)12-9-16(20)19(10-12)13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3
InChIKeyWJXDTXGVFIKJDR-UHFFFAOYSA-N
MW321.80 g/mol
LogP3.34
Rot. Bonds3

About (2-chloro-5-methylphenyl) 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

(2-chloro-5-methylphenyl) 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 78791620) has the molecular formula C17H20ClNO3 and a molecular weight of 321.80 g/mol. Its IUPAC name is (2-chloro-5-methylphenyl) 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(2-chloro-5-methylphenyl) 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
PubChem CID78791620
Molecular FormulaC17H20ClNO3
Molecular Weight321.80 g/mol
Exact Mass321.11
IUPAC Name(2-chloro-5-methylphenyl) 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(Cl)c(OC(=O)C2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C17H20ClNO3/c1-11-6-7-14(18)15(8-11)22-17(21)12-9-16(20)19(10-12)13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3
InChIKeyWJXDTXGVFIKJDR-UHFFFAOYSA-N
XLogP3.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-5-methylphenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate
CID 7984932
(2-chlorophenyl) (3R)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057079
ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 94077568
N-(4-chloro-2,5-dimethoxyphenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185580
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3S)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 1095965
[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 8953115
[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 8953122
(5-methyl-2-propan-2-ylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056952
1-cyclopentyl-N-(2-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43024507
N-(3-chloro-4-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081380
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
(2,5-dimethylphenyl) (3S)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057232

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methylphenyl) 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (2-chloro-5-methylphenyl) 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (CID 78791620) is (2-chloro-5-methylphenyl) 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (2-chloro-5-methylphenyl) 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (2-chloro-5-methylphenyl) 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is Cc1ccc(Cl)c(OC(=O)C2CC(=O)N(C3CCCC3)C2)c1.
What is the InChIKey of (2-chloro-5-methylphenyl) 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is WJXDTXGVFIKJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3/c1-11-6-7-14(18)15(8-11)22-17(21)12-9-16(20)19(10-12)13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3.
What are the key properties of (2-chloro-5-methylphenyl) 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
(2-chloro-5-methylphenyl) 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 321.80 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methylphenyl) 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 78791620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).