N-ethyl-2-(5-oxopyrrolidine-2-carbonyl)cyclopentane-1-carboxamide

C13H20N2O3 — CID 58771444

IUPACN-ethyl-2-(5-oxopyrrolidine-2-carbonyl)cyclopentane-1-carboxamide
SMILESCCNC(=O)C1CCCC1C(=O)C1CCC(=O)N1
InChIInChI=1S/C13H20N2O3/c1-2-14-13(18)9-5-3-4-8(9)12(17)10-6-7-11(16)15-10/h8-10H,2-7H2,1H3,(H,14,18)(H,15,16)
InChIKeyCCNVAZFPHOXOPH-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.39
Rot. Bonds4

About N-ethyl-2-(5-oxopyrrolidine-2-carbonyl)cyclopentane-1-carboxamide

N-ethyl-2-(5-oxopyrrolidine-2-carbonyl)cyclopentane-1-carboxamide (PubChem CID 58771444) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-ethyl-2-(5-oxopyrrolidine-2-carbonyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(5-oxopyrrolidine-2-carbonyl)cyclopentane-1-carboxamide
PubChem CID58771444
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-ethyl-2-(5-oxopyrrolidine-2-carbonyl)cyclopentane-1-carboxamide
SMILESCCNC(=O)C1CCCC1C(=O)C1CCC(=O)N1
InChIInChI=1S/C13H20N2O3/c1-2-14-13(18)9-5-3-4-8(9)12(17)10-6-7-11(16)15-10/h8-10H,2-7H2,1H3,(H,14,18)(H,15,16)
InChIKeyCCNVAZFPHOXOPH-UHFFFAOYSA-N
XLogP0.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-oxopyrrolidine-2-carbonyl)cyclopentane-1-carboxamide?
The IUPAC name of N-ethyl-2-(5-oxopyrrolidine-2-carbonyl)cyclopentane-1-carboxamide (CID 58771444) is N-ethyl-2-(5-oxopyrrolidine-2-carbonyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-ethyl-2-(5-oxopyrrolidine-2-carbonyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-ethyl-2-(5-oxopyrrolidine-2-carbonyl)cyclopentane-1-carboxamide is CCNC(=O)C1CCCC1C(=O)C1CCC(=O)N1.
What is the InChIKey of N-ethyl-2-(5-oxopyrrolidine-2-carbonyl)cyclopentane-1-carboxamide?
The InChIKey is CCNVAZFPHOXOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-14-13(18)9-5-3-4-8(9)12(17)10-6-7-11(16)15-10/h8-10H,2-7H2,1H3,(H,14,18)(H,15,16).
What are the key properties of N-ethyl-2-(5-oxopyrrolidine-2-carbonyl)cyclopentane-1-carboxamide?
N-ethyl-2-(5-oxopyrrolidine-2-carbonyl)cyclopentane-1-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-oxopyrrolidine-2-carbonyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 58771444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).