3-(hydroxymethyl)-2-methylpent-4-enamide

C7H13NO2 — CID 175989379

IUPAC3-(hydroxymethyl)-2-methylpent-4-enamide
SMILESC=CC(CO)C(C)C(N)=O
InChIInChI=1S/C7H13NO2/c1-3-6(4-9)5(2)7(8)10/h3,5-6,9H,1,4H2,2H3,(H2,8,10)
InChIKeyCIMBERAWIITFFK-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.10
Rot. Bonds4

About 3-(hydroxymethyl)-2-methylpent-4-enamide

3-(hydroxymethyl)-2-methylpent-4-enamide (PubChem CID 175989379) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2-methylpent-4-enamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-2-methylpent-4-enamide
PubChem CID175989379
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-(hydroxymethyl)-2-methylpent-4-enamide
SMILESC=CC(CO)C(C)C(N)=O
InChIInChI=1S/C7H13NO2/c1-3-6(4-9)5(2)7(8)10/h3,5-6,9H,1,4H2,2H3,(H2,8,10)
InChIKeyCIMBERAWIITFFK-UHFFFAOYSA-N
XLogP-0.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(hydroxymethyl)-2-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

Related Compounds

(2S,3S)-3-(hydroxymethyl)-N-methoxy-N,2-dimethylpent-4-enamide
CID 130367251
2,3-dimethylbutanediamide
CID 55281411
propane-1,2-diol;prop-2-enamide
CID 135223311
2-propan-2-ylbut-3-enamide
CID 147296462
3-methyl-2-methylsulfanylpent-4-enamide
CID 12592966
(2R,3S)-3-ethenyl-2-methylhexanoic acid
CID 101105350
(2R)-2-methyl-3-sulfanylbutanamide
CID 177036922
2-methyl-3-sulfanylbutanamide
CID 87275807
(3R)-3-hydroxy-2-methylbutanamide
CID 134245367
2-(1-hydroxypropan-2-ylsulfanyl)propanamide
CID 115659409
(2R,3R)-2,3-dimethylpentanamide
CID 170847775
2-(prop-2-enyldisulfanyl)propanamide
CID 87643091

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-2-methylpent-4-enamide?
The IUPAC name of 3-(hydroxymethyl)-2-methylpent-4-enamide (CID 175989379) is 3-(hydroxymethyl)-2-methylpent-4-enamide.
What is the SMILES notation for 3-(hydroxymethyl)-2-methylpent-4-enamide?
The canonical SMILES for 3-(hydroxymethyl)-2-methylpent-4-enamide is C=CC(CO)C(C)C(N)=O.
What is the InChIKey of 3-(hydroxymethyl)-2-methylpent-4-enamide?
The InChIKey is CIMBERAWIITFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-6(4-9)5(2)7(8)10/h3,5-6,9H,1,4H2,2H3,(H2,8,10).
What are the key properties of 3-(hydroxymethyl)-2-methylpent-4-enamide?
3-(hydroxymethyl)-2-methylpent-4-enamide has a molecular weight of 143.19 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2-methylpent-4-enamide is sourced from PubChem (CID 175989379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).