N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C13H21ClN2O2 — CID 17081353

IUPACN-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCCl)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C13H21ClN2O2/c14-6-3-7-15-13(18)10-8-12(17)16(9-10)11-4-1-2-5-11/h10-11H,1-9H2,(H,15,18)
InChIKeyPOGYKVCWYQSWRF-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.52
Rot. Bonds5

About N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 17081353) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID17081353
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCCl)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C13H21ClN2O2/c14-6-3-7-15-13(18)10-8-12(17)16(9-10)11-4-1-2-5-11/h10-11H,1-9H2,(H,15,18)
InChIKeyPOGYKVCWYQSWRF-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
(3R)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030812
(3S)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030810
N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3244152
(3R)-1-cyclopentyl-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 95283558
N-[2-(cycloheptylamino)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119619473
(3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97113539
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846
1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110612385
1-cyclohexyl-N-(cyclopentylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 110627517

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 17081353) is N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is O=C(NCCCCl)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is POGYKVCWYQSWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c14-6-3-7-15-13(18)10-8-12(17)16(9-10)11-4-1-2-5-11/h10-11H,1-9H2,(H,15,18).
What are the key properties of N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 272.78 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17081353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).