1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-carboxylic acid

C17H21NO3 — CID 22115931

IUPAC1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C17H21NO3/c19-16-10-14(17(20)21)11-18(16)15-8-6-13(7-9-15)12-4-2-1-3-5-12/h6-9,12,14H,1-5,10-11H2,(H,20,21)
InChIKeyDDJPYLCHNIJAIT-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.17
Rot. Bonds3

About 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 22115931) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID22115931
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C17H21NO3/c19-16-10-14(17(20)21)11-18(16)15-8-6-13(7-9-15)12-4-2-1-3-5-12/h6-9,12,14H,1-5,10-11H2,(H,20,21)
InChIKeyDDJPYLCHNIJAIT-UHFFFAOYSA-N
XLogP3.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-Dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2927147
1-(4-Fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2912652
Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate
CID 2902946
1-(3-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2911491
1-(3,5-Dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2741834
1-(2-Ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2968626
1-(4-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2741827
Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 577835
1-(2-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2911975
1-(2,5-Dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2900371
5-Oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 2737107
1-(4-Ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2900602

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 22115931) is 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccc(C3CCCCC3)cc2)C1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is DDJPYLCHNIJAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-16-10-14(17(20)21)11-18(16)15-8-6-13(7-9-15)12-4-2-1-3-5-12/h6-9,12,14H,1-5,10-11H2,(H,20,21).
What are the key properties of 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 22115931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).