N-(2-hydroxyethyl)hex-4-enamide

C8H15NO2 — CID 57112213

IUPACN-(2-hydroxyethyl)hex-4-enamide
SMILESCC=CCCC(=O)NCCO
InChIInChI=1S/C8H15NO2/c1-2-3-4-5-8(11)9-6-7-10/h2-3,10H,4-7H2,1H3,(H,9,11)
InChIKeyBIWGTQUNBZBDJD-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.45
Rot. Bonds5

About N-(2-hydroxyethyl)hex-4-enamide

N-(2-hydroxyethyl)hex-4-enamide (PubChem CID 57112213) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(2-hydroxyethyl)hex-4-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)hex-4-enamide
PubChem CID57112213
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(2-hydroxyethyl)hex-4-enamide
SMILESCC=CCCC(=O)NCCO
InChIInChI=1S/C8H15NO2/c1-2-3-4-5-8(11)9-6-7-10/h2-3,10H,4-7H2,1H3,(H,9,11)
InChIKeyBIWGTQUNBZBDJD-UHFFFAOYSA-N
XLogP0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)hex-4-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-(2-hydroxyethyl)hex-4-enamide?
The IUPAC name of N-(2-hydroxyethyl)hex-4-enamide (CID 57112213) is N-(2-hydroxyethyl)hex-4-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)hex-4-enamide?
The canonical SMILES for N-(2-hydroxyethyl)hex-4-enamide is CC=CCCC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)hex-4-enamide?
The InChIKey is BIWGTQUNBZBDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-4-5-8(11)9-6-7-10/h2-3,10H,4-7H2,1H3,(H,9,11).
What are the key properties of N-(2-hydroxyethyl)hex-4-enamide?
N-(2-hydroxyethyl)hex-4-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)hex-4-enamide is sourced from PubChem (CID 57112213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).