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

C10H8N2O2 — CID 5328796

IUPAC(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(O)cc1)C(N)=O
InChIInChI=1S/C10H8N2O2/c11-6-8(10(12)14)5-7-1-3-9(13)4-2-7/h1-5,13H,(H2,12,14)/b8-5+
InChIKeyILLYSIXRHPOKIQ-VMPITWQZSA-N
MW188.19 g/mol
LogP0.78
Rot. Bonds2

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

(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 5328796) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID5328796
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(O)cc1)C(N)=O
InChIInChI=1S/C10H8N2O2/c11-6-8(10(12)14)5-7-1-3-9(13)4-2-7/h1-5,13H,(H2,12,14)/b8-5+
InChIKeyILLYSIXRHPOKIQ-VMPITWQZSA-N
XLogP0.78
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-cyano-3-(4-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)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide (CID 5328796) is (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide is N#C/C(=C\c1ccc(O)cc1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is ILLYSIXRHPOKIQ-VMPITWQZSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-6-8(10(12)14)5-7-1-3-9(13)4-2-7/h1-5,13H,(H2,12,14)/b8-5+.
What are the key properties of (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 188.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 5328796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).