(3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one

C20H14N2O — CID 166225937

IUPAC(3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1cccc(-c2cccnc2)c1
InChIInChI=1S/C20H14N2O/c23-20-18(17-8-1-2-9-19(17)22-20)12-14-5-3-6-15(11-14)16-7-4-10-21-13-16/h1-13H,(H,22,23)/b18-12+
InChIKeyCJTYUQNKHUWJDS-LDADJPATSA-N
MW298.35 g/mol
LogP4.24
Rot. Bonds2

About (3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one

(3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one (PubChem CID 166225937) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is (3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one
PubChem CID166225937
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name(3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1cccc(-c2cccnc2)c1
InChIInChI=1S/C20H14N2O/c23-20-18(17-8-1-2-9-19(17)22-20)12-14-5-3-6-15(11-14)16-7-4-10-21-13-16/h1-13H,(H,22,23)/b18-12+
InChIKeyCJTYUQNKHUWJDS-LDADJPATSA-N
XLogP4.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one 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 (3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one (CID 166225937) is (3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C\c1cccc(-c2cccnc2)c1.
What is the InChIKey of (3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one?
The InChIKey is CJTYUQNKHUWJDS-LDADJPATSA-N. The full InChI is InChI=1S/C20H14N2O/c23-20-18(17-8-1-2-9-19(17)22-20)12-14-5-3-6-15(11-14)16-7-4-10-21-13-16/h1-13H,(H,22,23)/b18-12+.
What are the key properties of (3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one?
(3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one has a molecular weight of 298.35 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 166225937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).