N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C18H28N2O2 — CID 3528370

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H28N2O2/c21-17-12-15(13-20(17)16-8-4-5-9-16)18(22)19-11-10-14-6-2-1-3-7-14/h6,15-16H,1-5,7-13H2,(H,19,22)
InChIKeyPQLPBSSZPGGVAU-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.78
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 3528370) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID3528370
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H28N2O2/c21-17-12-15(13-20(17)16-8-4-5-9-16)18(22)19-11-10-14-6-2-1-3-7-14/h6,15-16H,1-5,7-13H2,(H,19,22)
InChIKeyPQLPBSSZPGGVAU-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.78
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 N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 3528370) is N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PQLPBSSZPGGVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c21-17-12-15(13-20(17)16-8-4-5-9-16)18(22)19-11-10-14-6-2-1-3-7-14/h6,15-16H,1-5,7-13H2,(H,19,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3528370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).