(E)-N-(2-hydroxyethyl)-4-methylpent-2-enamide

C8H15NO2 — CID 59745568

IUPAC(E)-N-(2-hydroxyethyl)-4-methylpent-2-enamide
SMILESCC(C)/C=C/C(=O)NCCO
InChIInChI=1S/C8H15NO2/c1-7(2)3-4-8(11)9-5-6-10/h3-4,7,10H,5-6H2,1-2H3,(H,9,11)/b4-3+
InChIKeyXZVSHDQSAUIQGX-ONEGZZNKSA-N
MW157.21 g/mol
LogP0.31
Rot. Bonds4

About (E)-N-(2-hydroxyethyl)-4-methylpent-2-enamide

(E)-N-(2-hydroxyethyl)-4-methylpent-2-enamide (PubChem CID 59745568) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (E)-N-(2-hydroxyethyl)-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyethyl)-4-methylpent-2-enamide
PubChem CID59745568
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(E)-N-(2-hydroxyethyl)-4-methylpent-2-enamide
SMILESCC(C)/C=C/C(=O)NCCO
InChIInChI=1S/C8H15NO2/c1-7(2)3-4-8(11)9-5-6-10/h3-4,7,10H,5-6H2,1-2H3,(H,9,11)/b4-3+
InChIKeyXZVSHDQSAUIQGX-ONEGZZNKSA-N
XLogP0.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(2-hydroxyethyl)-4-methylpent-2-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 (E)-N-(2-hydroxyethyl)-4-methylpent-2-enamide?
The IUPAC name of (E)-N-(2-hydroxyethyl)-4-methylpent-2-enamide (CID 59745568) is (E)-N-(2-hydroxyethyl)-4-methylpent-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyethyl)-4-methylpent-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxyethyl)-4-methylpent-2-enamide is CC(C)/C=C/C(=O)NCCO.
What is the InChIKey of (E)-N-(2-hydroxyethyl)-4-methylpent-2-enamide?
The InChIKey is XZVSHDQSAUIQGX-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2)3-4-8(11)9-5-6-10/h3-4,7,10H,5-6H2,1-2H3,(H,9,11)/b4-3+.
What are the key properties of (E)-N-(2-hydroxyethyl)-4-methylpent-2-enamide?
(E)-N-(2-hydroxyethyl)-4-methylpent-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxyethyl)-4-methylpent-2-enamide is sourced from PubChem (CID 59745568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).