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

C18H30N2O2 — CID 3237655

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCN1CC(C(=O)NCCC2=CCCCC2)CC1=O
InChIInChI=1S/C18H30N2O2/c1-14(2)9-11-20-13-16(12-17(20)21)18(22)19-10-8-15-6-4-3-5-7-15/h6,14,16H,3-5,7-13H2,1-2H3,(H,19,22)
InChIKeyJMEBTTDOVNQHBC-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.89
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3237655) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3237655
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCN1CC(C(=O)NCCC2=CCCCC2)CC1=O
InChIInChI=1S/C18H30N2O2/c1-14(2)9-11-20-13-16(12-17(20)21)18(22)19-10-8-15-6-4-3-5-7-15/h6,14,16H,3-5,7-13H2,1-2H3,(H,19,22)
InChIKeyJMEBTTDOVNQHBC-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.89
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-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 3237655) is N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CCN1CC(C(=O)NCCC2=CCCCC2)CC1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JMEBTTDOVNQHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-14(2)9-11-20-13-16(12-17(20)21)18(22)19-10-8-15-6-4-3-5-7-15/h6,14,16H,3-5,7-13H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.89, 7 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-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3237655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).