2-(cyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide

C15H25NO2 — CID 55212957

IUPAC2-(cyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
SMILESO=C(CC1=CCCCC1)NC1(CO)CCCCC1
InChIInChI=1S/C15H25NO2/c17-12-15(9-5-2-6-10-15)16-14(18)11-13-7-3-1-4-8-13/h7,17H,1-6,8-12H2,(H,16,18)
InChIKeyLCPSXRFYJCLTBT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.69
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide

2-(cyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide (PubChem CID 55212957) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
PubChem CID55212957
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(cyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
SMILESO=C(CC1=CCCCC1)NC1(CO)CCCCC1
InChIInChI=1S/C15H25NO2/c17-12-15(9-5-2-6-10-15)16-14(18)11-13-7-3-1-4-8-13/h7,17H,1-6,8-12H2,(H,16,18)
InChIKeyLCPSXRFYJCLTBT-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(cyclohexen-1-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 64889233
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide
CID 115308576
2-(2-aminophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62526209
2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522014
6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid
CID 55214702
N-(2-aminoethyl)-2-(cyclohexen-1-yl)acetamide
CID 63564998
2-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522174
N-(2-aminocyclopropyl)-2-(cyclohexen-1-yl)acetamide
CID 63563093
2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide
CID 115878692
6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid
CID 63565537
1-(cycloocten-1-yl)-3-methylbutan-2-one
CID 147027331

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide (CID 55212957) is 2-(cyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide is O=C(CC1=CCCCC1)NC1(CO)CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
The InChIKey is LCPSXRFYJCLTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-12-15(9-5-2-6-10-15)16-14(18)11-13-7-3-1-4-8-13/h7,17H,1-6,8-12H2,(H,16,18).
What are the key properties of 2-(cyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
2-(cyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide has a molecular weight of 251.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide is sourced from PubChem (CID 55212957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).