N-(2-hydroxyethyl)pent-3-enamide;methane

C9H21NO2 — CID 160745389

IUPACN-(2-hydroxyethyl)pent-3-enamide;methane
SMILESC.C.CC=CCC(=O)NCCO
InChIInChI=1S/C7H13NO2.2CH4/c1-2-3-4-7(10)8-5-6-9;;/h2-3,9H,4-6H2,1H3,(H,8,10);2*1H4
InChIKeyRWDAHZFBYDPNEF-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.33
Rot. Bonds4

About N-(2-hydroxyethyl)pent-3-enamide;methane

N-(2-hydroxyethyl)pent-3-enamide;methane (PubChem CID 160745389) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)pent-3-enamide;methane.

Molecular Properties

Compound NameN-(2-hydroxyethyl)pent-3-enamide;methane
PubChem CID160745389
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC NameN-(2-hydroxyethyl)pent-3-enamide;methane
SMILESC.C.CC=CCC(=O)NCCO
InChIInChI=1S/C7H13NO2.2CH4/c1-2-3-4-7(10)8-5-6-9;;/h2-3,9H,4-6H2,1H3,(H,8,10);2*1H4
InChIKeyRWDAHZFBYDPNEF-UHFFFAOYSA-N
XLogP1.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)pent-3-enamide;methane with MolForge

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

Launch Full Analysis

Related Compounds

CID 158513975
CID 158513975
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
(E)-N-(2-hydroxyethyl)-5-trimethylsilylpent-4-enamide
CID 11413268
N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide
CID 86062914
N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen
CID 155596032
9-(2-hydroxyethylamino)-9-oxononanoic acid
CID 57483082
2-chloro-N-[(E)-pent-3-enyl]acetamide
CID 115879893
(5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide
CID 171390761
N-(2-hydroxyethyl)docos-13-enamide;hydrochloride
CID 173237481
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
CID 171145739
4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112728032

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)pent-3-enamide;methane?
The IUPAC name of N-(2-hydroxyethyl)pent-3-enamide;methane (CID 160745389) is N-(2-hydroxyethyl)pent-3-enamide;methane.
What is the SMILES notation for N-(2-hydroxyethyl)pent-3-enamide;methane?
The canonical SMILES for N-(2-hydroxyethyl)pent-3-enamide;methane is C.C.CC=CCC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)pent-3-enamide;methane?
The InChIKey is RWDAHZFBYDPNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.2CH4/c1-2-3-4-7(10)8-5-6-9;;/h2-3,9H,4-6H2,1H3,(H,8,10);2*1H4.
What are the key properties of N-(2-hydroxyethyl)pent-3-enamide;methane?
N-(2-hydroxyethyl)pent-3-enamide;methane has a molecular weight of 175.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)pent-3-enamide;methane is sourced from PubChem (CID 160745389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).