N-cyclopentyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C13H22N2O2 — CID 3163608

IUPACN-cyclopentyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NC2CCCC2)CC1=O
InChIInChI=1S/C13H22N2O2/c1-9(2)15-8-10(7-12(15)16)13(17)14-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,14,17)
InChIKeyRXNILAUHROPTAS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds3

About N-cyclopentyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-cyclopentyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 3163608) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-cyclopentyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID3163608
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-cyclopentyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NC2CCCC2)CC1=O
InChIInChI=1S/C13H22N2O2/c1-9(2)15-8-10(7-12(15)16)13(17)14-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,14,17)
InChIKeyRXNILAUHROPTAS-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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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 3163608) is N-cyclopentyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)NC2CCCC2)CC1=O.
What is the InChIKey of N-cyclopentyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is RXNILAUHROPTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(2)15-8-10(7-12(15)16)13(17)14-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,14,17).
What are the key properties of N-cyclopentyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-cyclopentyl-5-oxo-1-propan-2-ylpyrrolidine-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 N-cyclopentyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 3163608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).