2-(cyclohexen-1-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide

C16H28N2O — CID 56710208

IUPAC2-(cyclohexen-1-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
SMILESCC(C)N1CCC(CNC(=O)CC2=CCCCC2)C1
InChIInChI=1S/C16H28N2O/c1-13(2)18-9-8-15(12-18)11-17-16(19)10-14-6-4-3-5-7-14/h6,13,15H,3-5,7-12H2,1-2H3,(H,17,19)
InChIKeyYZKUYRJIYHOXQT-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.72
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide

2-(cyclohexen-1-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 56710208) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
PubChem CID56710208
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(cyclohexen-1-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
SMILESCC(C)N1CCC(CNC(=O)CC2=CCCCC2)C1
InChIInChI=1S/C16H28N2O/c1-13(2)18-9-8-15(12-18)11-17-16(19)10-14-6-4-3-5-7-14/h6,13,15H,3-5,7-12H2,1-2H3,(H,17,19)
InChIKeyYZKUYRJIYHOXQT-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.72
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-(2-cyclohex-1-en-1-ylethyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3237655
1-cycloheptyl-N-(2-cyclohex-1-en-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 3243904
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3244139
N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide
CID 44304689
N-(2-(cyclohex-1-en-1-yl)ethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3528370
2-(1-cyclohexenyl)-1-(4-tetrahydro-1H-pyrrol-3-ylpiperidino)-1-ethanone
CID 110197850
N-[[(1S,4S,6S)-3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide
CID 38028810
2-(cyclohexen-1-yl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]acetamide
CID 91923210
N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 53518678
N-[(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl]-N-{[(2S)-5-oxopyrrolidin-2-yl]methyl}cyclohexanecarboxamide
CID 56701806
N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-2-(cyclohexen-1-yl)acetamide
CID 122136654
N-[(2R)-6-methylhept-5-en-2-yl]dodecanamide
CID 16062236

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide (CID 56710208) is 2-(cyclohexen-1-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide is CC(C)N1CCC(CNC(=O)CC2=CCCCC2)C1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is YZKUYRJIYHOXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(2)18-9-8-15(12-18)11-17-16(19)10-14-6-4-3-5-7-14/h6,13,15H,3-5,7-12H2,1-2H3,(H,17,19).
What are the key properties of 2-(cyclohexen-1-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide?
2-(cyclohexen-1-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 264.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 56710208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).