1-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide

C19H30N2O2 — CID 3237705

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCC2)CCC(=O)N1CCC1=CCCCC1
InChIInChI=1S/C19H30N2O2/c1-19(18(23)20-16-9-5-6-10-16)13-11-17(22)21(19)14-12-15-7-3-2-4-8-15/h7,16H,2-6,8-14H2,1H3,(H,20,23)
InChIKeyLOPNXUSWKCPSJH-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.32
Rot. Bonds5

About 1-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide

1-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 3237705) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID3237705
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCC2)CCC(=O)N1CCC1=CCCCC1
InChIInChI=1S/C19H30N2O2/c1-19(18(23)20-16-9-5-6-10-16)13-11-17(22)21(19)14-12-15-7-3-2-4-8-15/h7,16H,2-6,8-14H2,1H3,(H,20,23)
InChIKeyLOPNXUSWKCPSJH-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 3237705) is 1-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide is CC1(C(=O)NC2CCCC2)CCC(=O)N1CCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LOPNXUSWKCPSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(18(23)20-16-9-5-6-10-16)13-11-17(22)21(19)14-12-15-7-3-2-4-8-15/h7,16H,2-6,8-14H2,1H3,(H,20,23).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
1-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3237705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).