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

C17H28N2O2 — CID 113182086

IUPAC1-butan-2-yl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)N1CC(C(=O)NCCC2=CCCCC2)CC1=O
InChIInChI=1S/C17H28N2O2/c1-3-13(2)19-12-15(11-16(19)20)17(21)18-10-9-14-7-5-4-6-8-14/h7,13,15H,3-6,8-12H2,1-2H3,(H,18,21)
InChIKeyLXJCHBSOOGZEIV-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.64
Rot. Bonds6

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

1-butan-2-yl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113182086) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-butan-2-yl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113182086
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-butan-2-yl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)N1CC(C(=O)NCCC2=CCCCC2)CC1=O
InChIInChI=1S/C17H28N2O2/c1-3-13(2)19-12-15(11-16(19)20)17(21)18-10-9-14-7-5-4-6-8-14/h7,13,15H,3-6,8-12H2,1-2H3,(H,18,21)
InChIKeyLXJCHBSOOGZEIV-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 70713492
N,1-bis[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182291
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 95131890
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 29261393
1-butan-2-yl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182117
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42943937
1-[(4-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113183680
1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113182353
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6549662
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090579
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144460
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188452

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butan-2-yl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 113182086) is 1-butan-2-yl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butan-2-yl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butan-2-yl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCC(C)N1CC(C(=O)NCCC2=CCCCC2)CC1=O.
What is the InChIKey of 1-butan-2-yl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LXJCHBSOOGZEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-13(2)19-12-15(11-16(19)20)17(21)18-10-9-14-7-5-4-6-8-14/h7,13,15H,3-6,8-12H2,1-2H3,(H,18,21).
What are the key properties of 1-butan-2-yl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-butan-2-yl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113182086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).