N-(2-hydroxypropyl)-N-methylpent-4-enamide

C9H17NO2 — CID 62677409

IUPACN-(2-hydroxypropyl)-N-methylpent-4-enamide
SMILESC=CCCC(=O)N(C)CC(C)O
InChIInChI=1S/C9H17NO2/c1-4-5-6-9(12)10(3)7-8(2)11/h4,8,11H,1,5-7H2,2-3H3
InChIKeyGPHADPUYHAKYMG-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.79
Rot. Bonds5

About N-(2-hydroxypropyl)-N-methylpent-4-enamide

N-(2-hydroxypropyl)-N-methylpent-4-enamide (PubChem CID 62677409) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methylpent-4-enamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methylpent-4-enamide
PubChem CID62677409
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(2-hydroxypropyl)-N-methylpent-4-enamide
SMILESC=CCCC(=O)N(C)CC(C)O
InChIInChI=1S/C9H17NO2/c1-4-5-6-9(12)10(3)7-8(2)11/h4,8,11H,1,5-7H2,2-3H3
InChIKeyGPHADPUYHAKYMG-UHFFFAOYSA-N
XLogP0.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-hydroxypropyl)-N-methylpent-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-hydroxypropyl)-N-methylpent-4-enamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methylpent-4-enamide (CID 62677409) is N-(2-hydroxypropyl)-N-methylpent-4-enamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methylpent-4-enamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methylpent-4-enamide is C=CCCC(=O)N(C)CC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-N-methylpent-4-enamide?
The InChIKey is GPHADPUYHAKYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-5-6-9(12)10(3)7-8(2)11/h4,8,11H,1,5-7H2,2-3H3.
What are the key properties of N-(2-hydroxypropyl)-N-methylpent-4-enamide?
N-(2-hydroxypropyl)-N-methylpent-4-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methylpent-4-enamide is sourced from PubChem (CID 62677409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).