1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C16H26N2O2 — CID 113182280

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CC(=O)N(CCC2=CCCCC2)C1
InChIInChI=1S/C16H26N2O2/c1-12(2)17-16(20)14-10-15(19)18(11-14)9-8-13-6-4-3-5-7-13/h6,12,14H,3-5,7-11H2,1-2H3,(H,17,20)
InChIKeyAVOOZDDLIFOBQZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.25
Rot. Bonds5

About 1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 113182280) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID113182280
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CC(=O)N(CCC2=CCCCC2)C1
InChIInChI=1S/C16H26N2O2/c1-12(2)17-16(20)14-10-15(19)18(11-14)9-8-13-6-4-3-5-7-13/h6,12,14H,3-5,7-11H2,1-2H3,(H,17,20)
InChIKeyAVOOZDDLIFOBQZ-UHFFFAOYSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.25
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,1-bis[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182291
1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113182353
N-(4-acetylphenyl)-1-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182414
1-[2-(cyclohexen-1-yl)ethyl]-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182437
N-(3-acetamidophenyl)-1-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182415
1-[2-(cyclohexen-1-yl)ethyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113182346
1-[2-(cyclohexen-1-yl)ethyl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113182311
1-[2-(cyclohexen-1-yl)ethyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113182315
1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113182299
1-[2-(cyclohexen-1-yl)ethyl]-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182449
1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 113182447
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 99987745

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 113182280) is 1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)NC(=O)C1CC(=O)N(CCC2=CCCCC2)C1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is AVOOZDDLIFOBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)17-16(20)14-10-15(19)18(11-14)9-8-13-6-4-3-5-7-13/h6,12,14H,3-5,7-11H2,1-2H3,(H,17,20).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113182280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).