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

C21H34N2O2 — CID 5216501

IUPACN-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCCCC2)CCC(=O)N1CCC1=CCCCC1
InChIInChI=1S/C21H34N2O2/c1-21(20(25)22-18-11-7-2-3-8-12-18)15-13-19(24)23(21)16-14-17-9-5-4-6-10-17/h9,18H,2-8,10-16H2,1H3,(H,22,25)
InChIKeyWDUCNBOQHWUJHK-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.10
Rot. Bonds5

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

N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 5216501) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID5216501
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC NameN-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCCCC2)CCC(=O)N1CCC1=CCCCC1
InChIInChI=1S/C21H34N2O2/c1-21(20(25)22-18-11-7-2-3-8-12-18)15-13-19(24)23(21)16-14-17-9-5-4-6-10-17/h9,18H,2-8,10-16H2,1H3,(H,22,25)
InChIKeyWDUCNBOQHWUJHK-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.10
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-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 5216501) is N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is CC1(C(=O)NC2CCCCCC2)CCC(=O)N1CCC1=CCCCC1.
What is the InChIKey of N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WDUCNBOQHWUJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-21(20(25)22-18-11-7-2-3-8-12-18)15-13-19(24)23(21)16-14-17-9-5-4-6-10-17/h9,18H,2-8,10-16H2,1H3,(H,22,25).
What are the key properties of N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 346.52 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 5216501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).