3-phenylimino-1H-indol-2-one

C14H10N2O — CID 135442567

IUPAC3-phenylimino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1ccccc1
InChIInChI=1S/C14H10N2O/c17-14-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-9H,(H,15,16,17)
InChIKeyXHQFUPTZQYGGHC-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.76
Rot. Bonds1

About 3-phenylimino-1H-indol-2-one

3-phenylimino-1H-indol-2-one (PubChem CID 135442567) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-phenylimino-1H-indol-2-one.

Molecular Properties

Compound Name3-phenylimino-1H-indol-2-one
PubChem CID135442567
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name3-phenylimino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1ccccc1
InChIInChI=1S/C14H10N2O/c17-14-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-9H,(H,15,16,17)
InChIKeyXHQFUPTZQYGGHC-UHFFFAOYSA-N
XLogP2.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-phenylimino-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 3-phenylimino-1H-indol-2-one?
The IUPAC name of 3-phenylimino-1H-indol-2-one (CID 135442567) is 3-phenylimino-1H-indol-2-one.
What is the SMILES notation for 3-phenylimino-1H-indol-2-one?
The canonical SMILES for 3-phenylimino-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/c1ccccc1.
What is the InChIKey of 3-phenylimino-1H-indol-2-one?
The InChIKey is XHQFUPTZQYGGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c17-14-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-9H,(H,15,16,17).
What are the key properties of 3-phenylimino-1H-indol-2-one?
3-phenylimino-1H-indol-2-one has a molecular weight of 222.25 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylimino-1H-indol-2-one is sourced from PubChem (CID 135442567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).