N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide

C7H13NO2 — CID 15145670

IUPACN-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CO
InChIInChI=1S/C7H13NO2/c1-4-6(10)8-7(2,3)5-9/h4,9H,1,5H2,2-3H3,(H,8,10)
InChIKeyWHJNQEHPYYGWGL-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.06
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide

N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide (PubChem CID 15145670) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide
PubChem CID15145670
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CO
InChIInChI=1S/C7H13NO2/c1-4-6(10)8-7(2,3)5-9/h4,9H,1,5H2,2-3H3,(H,8,10)
InChIKeyWHJNQEHPYYGWGL-UHFFFAOYSA-N
XLogP0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-hydroxy-2-methylpropan-2-yl)prop-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

Related Compounds

N-(Tris(hydroxymethyl)methyl)acrylamide
CID 83788
N-(1,3-Dihydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 19357497
N-[2-methyl-1-(sulfonyloxy)propan-2-yl]prop-2-enamide
CID 57252620
N-(1-Hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide
CID 19357498
[2-Methyl-2-(prop-2-enoylamino)propyl] hydrogen sulfite
CID 9877722
N-(1-methoxy-2-methylpropan-2-yl)prop-2-enamide
CID 20081119
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]prop-2-enamide
CID 20603689
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-hydroxyprop-2-enamide
CID 21747953
(2E,4E)-N-(1-hydroxy-2-methylpropan-2-yl)hexa-2,4-dienamide
CID 43500937
N-[3-(hydroxymethyl)pentan-3-yl]prop-2-enamide
CID 62517007
N-(1-hydroxy-2-methylpropan-2-yl)hexa-2,4-dienamide
CID 74876359
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]but-2-enamide
CID 87077819

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide (CID 15145670) is N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide is C=CC(=O)NC(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide?
The InChIKey is WHJNQEHPYYGWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-6(10)8-7(2,3)5-9/h4,9H,1,5H2,2-3H3,(H,8,10).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide?
N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide is sourced from PubChem (CID 15145670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).