3-hydroxy-2-(hydroxymethyl)-3-phenylprop-2-enamide

C10H11NO3 — CID 67614624

IUPAC3-hydroxy-2-(hydroxymethyl)-3-phenylprop-2-enamide
SMILESNC(=O)C(CO)=C(O)c1ccccc1
InChIInChI=1S/C10H11NO3/c11-10(14)8(6-12)9(13)7-4-2-1-3-5-7/h1-5,12-13H,6H2,(H2,11,14)
InChIKeyKXLPNBXZQKBUMP-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.43
Rot. Bonds3

About 3-hydroxy-2-(hydroxymethyl)-3-phenylprop-2-enamide

3-hydroxy-2-(hydroxymethyl)-3-phenylprop-2-enamide (PubChem CID 67614624) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-hydroxy-2-(hydroxymethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name3-hydroxy-2-(hydroxymethyl)-3-phenylprop-2-enamide
PubChem CID67614624
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-hydroxy-2-(hydroxymethyl)-3-phenylprop-2-enamide
SMILESNC(=O)C(CO)=C(O)c1ccccc1
InChIInChI=1S/C10H11NO3/c11-10(14)8(6-12)9(13)7-4-2-1-3-5-7/h1-5,12-13H,6H2,(H2,11,14)
InChIKeyKXLPNBXZQKBUMP-UHFFFAOYSA-N
XLogP0.43
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-hydroxy-2-(hydroxymethyl)-3-phenylprop-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

3-hydroxy-2-(hydroxymethyl)-3-phenylprop-2-enoic acid
CID 67077320
benzamide;hydron
CID 68819060
CID 67738089
CID 67738089
benzene;2-hydroxy-1-phenylethanone
CID 174663024
benzamide;ethene
CID 143479548
1,1'-biphenyl;2-hydroxyacetamide
CID 174302760
azane;2-hydroxy-1-phenylethanone
CID 161228887
(Z)-2-benzyl-3-hydroxy-1,3-diphenylprop-2-en-1-one
CID 139068935
3-amino-4-hydroxy-2-oxo-4-phenylbut-3-enoic acid
CID 173202290
potassium hydroxymethyl benzoate
CID 22993318
CID 12505640
CID 12505640
(Z)-1,2-diphenylethene-1,2-diol
CID 11012436

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(hydroxymethyl)-3-phenylprop-2-enamide?
The IUPAC name of 3-hydroxy-2-(hydroxymethyl)-3-phenylprop-2-enamide (CID 67614624) is 3-hydroxy-2-(hydroxymethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for 3-hydroxy-2-(hydroxymethyl)-3-phenylprop-2-enamide?
The canonical SMILES for 3-hydroxy-2-(hydroxymethyl)-3-phenylprop-2-enamide is NC(=O)C(CO)=C(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-2-(hydroxymethyl)-3-phenylprop-2-enamide?
The InChIKey is KXLPNBXZQKBUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c11-10(14)8(6-12)9(13)7-4-2-1-3-5-7/h1-5,12-13H,6H2,(H2,11,14).
What are the key properties of 3-hydroxy-2-(hydroxymethyl)-3-phenylprop-2-enamide?
3-hydroxy-2-(hydroxymethyl)-3-phenylprop-2-enamide has a molecular weight of 193.20 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(hydroxymethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 67614624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).