(E)-3-(4-amino-2-hydroxyphenyl)prop-2-enamide

C9H10N2O2 — CID 21184788

IUPAC(E)-3-(4-amino-2-hydroxyphenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(N)cc1O
InChIInChI=1S/C9H10N2O2/c10-7-3-1-6(8(12)5-7)2-4-9(11)13/h1-5,12H,10H2,(H2,11,13)/b4-2+
InChIKeyXZWSHTFFDWFUOH-DUXPYHPUSA-N
MW178.19 g/mol
LogP0.47
Rot. Bonds2

About (E)-3-(4-amino-2-hydroxyphenyl)prop-2-enamide

(E)-3-(4-amino-2-hydroxyphenyl)prop-2-enamide (PubChem CID 21184788) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (E)-3-(4-amino-2-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-amino-2-hydroxyphenyl)prop-2-enamide
PubChem CID21184788
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(E)-3-(4-amino-2-hydroxyphenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(N)cc1O
InChIInChI=1S/C9H10N2O2/c10-7-3-1-6(8(12)5-7)2-4-9(11)13/h1-5,12H,10H2,(H2,11,13)/b4-2+
InChIKeyXZWSHTFFDWFUOH-DUXPYHPUSA-N
XLogP0.47
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(4-amino-2-hydroxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-amino-2-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-amino-2-hydroxyphenyl)prop-2-enamide (CID 21184788) is (E)-3-(4-amino-2-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-amino-2-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-amino-2-hydroxyphenyl)prop-2-enamide is NC(=O)/C=C/c1ccc(N)cc1O.
What is the InChIKey of (E)-3-(4-amino-2-hydroxyphenyl)prop-2-enamide?
The InChIKey is XZWSHTFFDWFUOH-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-7-3-1-6(8(12)5-7)2-4-9(11)13/h1-5,12H,10H2,(H2,11,13)/b4-2+.
What are the key properties of (E)-3-(4-amino-2-hydroxyphenyl)prop-2-enamide?
(E)-3-(4-amino-2-hydroxyphenyl)prop-2-enamide has a molecular weight of 178.19 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-amino-2-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 21184788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).