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

C20H32N2O2 — CID 3243904

IUPAC1-cycloheptyl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C20H32N2O2/c23-19-14-17(15-22(19)18-10-6-1-2-7-11-18)20(24)21-13-12-16-8-4-3-5-9-16/h8,17-18H,1-7,9-15H2,(H,21,24)
InChIKeyXMPXOPDQCMVCGI-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.56
Rot. Bonds5

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

1-cycloheptyl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3243904) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-cycloheptyl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3243904
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-cycloheptyl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C20H32N2O2/c23-19-14-17(15-22(19)18-10-6-1-2-7-11-18)20(24)21-13-12-16-8-4-3-5-9-16/h8,17-18H,1-7,9-15H2,(H,21,24)
InChIKeyXMPXOPDQCMVCGI-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.56
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-cycloheptyl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 3243904) is 1-cycloheptyl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XMPXOPDQCMVCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c23-19-14-17(15-22(19)18-10-6-1-2-7-11-18)20(24)21-13-12-16-8-4-3-5-9-16/h8,17-18H,1-7,9-15H2,(H,21,24).
What are the key properties of 1-cycloheptyl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-cycloheptyl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3243904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).