N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide

C16H20N2O2 — CID 86810389

IUPACN-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
SMILESO=C1NCC(c2ccccc2)C1C(=O)NC1CCCC1
InChIInChI=1S/C16H20N2O2/c19-15-14(16(20)18-12-8-4-5-9-12)13(10-17-15)11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2,(H,17,19)(H,18,20)
InChIKeyYRATXGLJHUHPNP-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.58
Rot. Bonds3

About N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide

N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide (PubChem CID 86810389) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
PubChem CID86810389
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
SMILESO=C1NCC(c2ccccc2)C1C(=O)NC1CCCC1
InChIInChI=1S/C16H20N2O2/c19-15-14(16(20)18-12-8-4-5-9-12)13(10-17-15)11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2,(H,17,19)(H,18,20)
InChIKeyYRATXGLJHUHPNP-UHFFFAOYSA-N
XLogP1.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822739
(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822738
N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438443
N-cyclopentyl-4-methyl-2-oxopyrrolidine-3-carboxamide
CID 142438420
N-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 86810390
N'-cyclopentyl-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448510
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135642757
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 11992296
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 6159848
(3S,4R)-N-[(2-fluorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 869612
ethyl (3S)-2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 118038022
(3R,4S)-2-oxo-4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrrolidine-3-carboxamide
CID 39858118

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide (CID 86810389) is N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide is O=C1NCC(c2ccccc2)C1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is YRATXGLJHUHPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15-14(16(20)18-12-8-4-5-9-12)13(10-17-15)11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2,(H,17,19)(H,18,20).
What are the key properties of N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide?
N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 86810389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).