(3Z)-3-(diphenylhydrazinylidene)-1-methylindol-2-one

C21H17N3O — CID 5387378

IUPAC(3Z)-3-(diphenylhydrazinylidene)-1-methylindol-2-one
SMILESCN1C(=O)/C(=N\N(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C21H17N3O/c1-23-19-15-9-8-14-18(19)20(21(23)25)22-24(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3/b22-20-
InChIKeyGBHDVBKJGALDHX-XDOYNYLZSA-N
MW327.39 g/mol
LogP4.21
Rot. Bonds3

About (3Z)-3-(diphenylhydrazinylidene)-1-methylindol-2-one

(3Z)-3-(diphenylhydrazinylidene)-1-methylindol-2-one (PubChem CID 5387378) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is (3Z)-3-(diphenylhydrazinylidene)-1-methylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-(diphenylhydrazinylidene)-1-methylindol-2-one
PubChem CID5387378
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name(3Z)-3-(diphenylhydrazinylidene)-1-methylindol-2-one
SMILESCN1C(=O)/C(=N\N(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C21H17N3O/c1-23-19-15-9-8-14-18(19)20(21(23)25)22-24(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3/b22-20-
InChIKeyGBHDVBKJGALDHX-XDOYNYLZSA-N
XLogP4.21
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3Z)-3-(diphenylhydrazinylidene)-1-methylindol-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 (3Z)-3-(diphenylhydrazinylidene)-1-methylindol-2-one?
The IUPAC name of (3Z)-3-(diphenylhydrazinylidene)-1-methylindol-2-one (CID 5387378) is (3Z)-3-(diphenylhydrazinylidene)-1-methylindol-2-one.
What is the SMILES notation for (3Z)-3-(diphenylhydrazinylidene)-1-methylindol-2-one?
The canonical SMILES for (3Z)-3-(diphenylhydrazinylidene)-1-methylindol-2-one is CN1C(=O)/C(=N\N(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of (3Z)-3-(diphenylhydrazinylidene)-1-methylindol-2-one?
The InChIKey is GBHDVBKJGALDHX-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H17N3O/c1-23-19-15-9-8-14-18(19)20(21(23)25)22-24(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3/b22-20-.
What are the key properties of (3Z)-3-(diphenylhydrazinylidene)-1-methylindol-2-one?
(3Z)-3-(diphenylhydrazinylidene)-1-methylindol-2-one has a molecular weight of 327.39 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(diphenylhydrazinylidene)-1-methylindol-2-one is sourced from PubChem (CID 5387378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).