1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide

C13H22N2O2 — CID 17257433

IUPAC1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C13H22N2O2/c1-2-14-13(17)10-8-12(16)15(9-10)11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,14,17)
InChIKeyARCFPPDTYSCLKZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds3

About 1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide

1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 17257433) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID17257433
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C13H22N2O2/c1-2-14-13(17)10-8-12(16)15(9-10)11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,14,17)
InChIKeyARCFPPDTYSCLKZ-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 2988340
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 5016732
1-cyclohexyl-N-(3-(4-methylpiperazin-1-yl)propyl)-5-oxopyrrolidine-3-carboxamide
CID 3244366
1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3245728
N-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3245780
1-cyclopentyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 3238541
1-sec-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3239387
N-isopropyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3243347
1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 3243531
1-cyclohexyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 3243689
N-tert-butyl-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 53501666

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide (CID 17257433) is 1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide is CCNC(=O)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ARCFPPDTYSCLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-14-13(17)10-8-12(16)15(9-10)11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,14,17).
What are the key properties of 1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17257433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).