N-[[4-(hydroxymethyl)cyclohexyl]methyl]hex-3-enamide

C14H25NO2 — CID 171134920

IUPACN-[[4-(hydroxymethyl)cyclohexyl]methyl]hex-3-enamide
SMILESCCC=CCC(=O)NCC1CCC(CO)CC1
InChIInChI=1S/C14H25NO2/c1-2-3-4-5-14(17)15-10-12-6-8-13(11-16)9-7-12/h3-4,12-13,16H,2,5-11H2,1H3,(H,15,17)
InChIKeyYKOLREVTGKVZJA-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.26
Rot. Bonds6

About N-[[4-(hydroxymethyl)cyclohexyl]methyl]hex-3-enamide

N-[[4-(hydroxymethyl)cyclohexyl]methyl]hex-3-enamide (PubChem CID 171134920) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)cyclohexyl]methyl]hex-3-enamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)cyclohexyl]methyl]hex-3-enamide
PubChem CID171134920
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[[4-(hydroxymethyl)cyclohexyl]methyl]hex-3-enamide
SMILESCCC=CCC(=O)NCC1CCC(CO)CC1
InChIInChI=1S/C14H25NO2/c1-2-3-4-5-14(17)15-10-12-6-8-13(11-16)9-7-12/h3-4,12-13,16H,2,5-11H2,1H3,(H,15,17)
InChIKeyYKOLREVTGKVZJA-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-(hydroxymethyl)cyclohexyl]methyl]hex-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)cyclohexyl]methyl]hex-3-enamide?
The IUPAC name of N-[[4-(hydroxymethyl)cyclohexyl]methyl]hex-3-enamide (CID 171134920) is N-[[4-(hydroxymethyl)cyclohexyl]methyl]hex-3-enamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)cyclohexyl]methyl]hex-3-enamide?
The canonical SMILES for N-[[4-(hydroxymethyl)cyclohexyl]methyl]hex-3-enamide is CCC=CCC(=O)NCC1CCC(CO)CC1.
What is the InChIKey of N-[[4-(hydroxymethyl)cyclohexyl]methyl]hex-3-enamide?
The InChIKey is YKOLREVTGKVZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-3-4-5-14(17)15-10-12-6-8-13(11-16)9-7-12/h3-4,12-13,16H,2,5-11H2,1H3,(H,15,17).
What are the key properties of N-[[4-(hydroxymethyl)cyclohexyl]methyl]hex-3-enamide?
N-[[4-(hydroxymethyl)cyclohexyl]methyl]hex-3-enamide has a molecular weight of 239.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)cyclohexyl]methyl]hex-3-enamide is sourced from PubChem (CID 171134920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).