N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C14H24N2O2 — CID 5016732

IUPACN-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C14H24N2O2/c1-2-3-8-15-14(18)11-9-13(17)16(10-11)12-6-4-5-7-12/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyQAZXSKSVCWBMDW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds5

About N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 5016732) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID5016732
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C14H24N2O2/c1-2-3-8-15-14(18)11-9-13(17)16(10-11)12-6-4-5-7-12/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyQAZXSKSVCWBMDW-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.69
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 N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 5016732) is N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is CCCCNC(=O)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QAZXSKSVCWBMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-3-8-15-14(18)11-9-13(17)16(10-11)12-6-4-5-7-12/h11-12H,2-10H2,1H3,(H,15,18).
What are the key properties of N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 5016732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).