6-(2-oxo-4-propylpyrrolidin-1-yl)hexanamide

C13H24N2O2 — CID 66725918

IUPAC6-(2-oxo-4-propylpyrrolidin-1-yl)hexanamide
SMILESCCCC1CC(=O)N(CCCCCC(N)=O)C1
InChIInChI=1S/C13H24N2O2/c1-2-6-11-9-13(17)15(10-11)8-5-3-4-7-12(14)16/h11H,2-10H2,1H3,(H2,14,16)
InChIKeyNNPJDJDJUHGHPJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.68
Rot. Bonds8

About 6-(2-oxo-4-propylpyrrolidin-1-yl)hexanamide

6-(2-oxo-4-propylpyrrolidin-1-yl)hexanamide (PubChem CID 66725918) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 6-(2-oxo-4-propylpyrrolidin-1-yl)hexanamide.

Molecular Properties

Compound Name6-(2-oxo-4-propylpyrrolidin-1-yl)hexanamide
PubChem CID66725918
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name6-(2-oxo-4-propylpyrrolidin-1-yl)hexanamide
SMILESCCCC1CC(=O)N(CCCCCC(N)=O)C1
InChIInChI=1S/C13H24N2O2/c1-2-6-11-9-13(17)15(10-11)8-5-3-4-7-12(14)16/h11H,2-10H2,1H3,(H2,14,16)
InChIKeyNNPJDJDJUHGHPJ-UHFFFAOYSA-N
XLogP1.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-4-propylpyrrolidin-1-yl)hexanamide?
The IUPAC name of 6-(2-oxo-4-propylpyrrolidin-1-yl)hexanamide (CID 66725918) is 6-(2-oxo-4-propylpyrrolidin-1-yl)hexanamide.
What is the SMILES notation for 6-(2-oxo-4-propylpyrrolidin-1-yl)hexanamide?
The canonical SMILES for 6-(2-oxo-4-propylpyrrolidin-1-yl)hexanamide is CCCC1CC(=O)N(CCCCCC(N)=O)C1.
What is the InChIKey of 6-(2-oxo-4-propylpyrrolidin-1-yl)hexanamide?
The InChIKey is NNPJDJDJUHGHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-6-11-9-13(17)15(10-11)8-5-3-4-7-12(14)16/h11H,2-10H2,1H3,(H2,14,16).
What are the key properties of 6-(2-oxo-4-propylpyrrolidin-1-yl)hexanamide?
6-(2-oxo-4-propylpyrrolidin-1-yl)hexanamide has a molecular weight of 240.35 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-4-propylpyrrolidin-1-yl)hexanamide is sourced from PubChem (CID 66725918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).