(Z)-2-(5-hydroxy-1H-indol-3-yl)-3-pyridin-2-ylprop-2-enenitrile

C16H11N3O — CID 130286793

IUPAC(Z)-2-(5-hydroxy-1H-indol-3-yl)-3-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccccn1)c1c[nH]c2ccc(O)cc12
InChIInChI=1S/C16H11N3O/c17-9-11(7-12-3-1-2-6-18-12)15-10-19-16-5-4-13(20)8-14(15)16/h1-8,10,19-20H/b11-7+
InChIKeyAJRQWOFRXWKJFS-YRNVUSSQSA-N
MW261.28 g/mol
LogP3.33
Rot. Bonds2

About (Z)-2-(5-hydroxy-1H-indol-3-yl)-3-pyridin-2-ylprop-2-enenitrile

(Z)-2-(5-hydroxy-1H-indol-3-yl)-3-pyridin-2-ylprop-2-enenitrile (PubChem CID 130286793) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is (Z)-2-(5-hydroxy-1H-indol-3-yl)-3-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(5-hydroxy-1H-indol-3-yl)-3-pyridin-2-ylprop-2-enenitrile
PubChem CID130286793
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name(Z)-2-(5-hydroxy-1H-indol-3-yl)-3-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccccn1)c1c[nH]c2ccc(O)cc12
InChIInChI=1S/C16H11N3O/c17-9-11(7-12-3-1-2-6-18-12)15-10-19-16-5-4-13(20)8-14(15)16/h1-8,10,19-20H/b11-7+
InChIKeyAJRQWOFRXWKJFS-YRNVUSSQSA-N
XLogP3.33
TPSA72.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-(5-hydroxy-1H-indol-3-yl)-3-pyridin-2-ylprop-2-enenitrile 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 (Z)-2-(5-hydroxy-1H-indol-3-yl)-3-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-2-(5-hydroxy-1H-indol-3-yl)-3-pyridin-2-ylprop-2-enenitrile (CID 130286793) is (Z)-2-(5-hydroxy-1H-indol-3-yl)-3-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-(5-hydroxy-1H-indol-3-yl)-3-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-2-(5-hydroxy-1H-indol-3-yl)-3-pyridin-2-ylprop-2-enenitrile is N#C/C(=C\c1ccccn1)c1c[nH]c2ccc(O)cc12.
What is the InChIKey of (Z)-2-(5-hydroxy-1H-indol-3-yl)-3-pyridin-2-ylprop-2-enenitrile?
The InChIKey is AJRQWOFRXWKJFS-YRNVUSSQSA-N. The full InChI is InChI=1S/C16H11N3O/c17-9-11(7-12-3-1-2-6-18-12)15-10-19-16-5-4-13(20)8-14(15)16/h1-8,10,19-20H/b11-7+.
What are the key properties of (Z)-2-(5-hydroxy-1H-indol-3-yl)-3-pyridin-2-ylprop-2-enenitrile?
(Z)-2-(5-hydroxy-1H-indol-3-yl)-3-pyridin-2-ylprop-2-enenitrile has a molecular weight of 261.28 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(5-hydroxy-1H-indol-3-yl)-3-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 130286793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).