1-[3-hydroxy-2-(phenyliminomethyl)indol-1-yl]ethanone

C17H14N2O2 — CID 4294031

IUPAC1-[3-hydroxy-2-(phenyliminomethyl)indol-1-yl]ethanone
SMILESCC(=O)n1c(/C=N/c2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C17H14N2O2/c1-12(20)19-15-10-6-5-9-14(15)17(21)16(19)11-18-13-7-3-2-4-8-13/h2-11,21H,1H3/b18-11+
InChIKeyGDTVTHHTVHGYRO-WOJGMQOQSA-N
MW278.31 g/mol
LogP3.76
Rot. Bonds2

About 1-[3-hydroxy-2-(phenyliminomethyl)indol-1-yl]ethanone

1-[3-hydroxy-2-(phenyliminomethyl)indol-1-yl]ethanone (PubChem CID 4294031) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[3-hydroxy-2-(phenyliminomethyl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-hydroxy-2-(phenyliminomethyl)indol-1-yl]ethanone
PubChem CID4294031
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name1-[3-hydroxy-2-(phenyliminomethyl)indol-1-yl]ethanone
SMILESCC(=O)n1c(/C=N/c2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C17H14N2O2/c1-12(20)19-15-10-6-5-9-14(15)17(21)16(19)11-18-13-7-3-2-4-8-13/h2-11,21H,1H3/b18-11+
InChIKeyGDTVTHHTVHGYRO-WOJGMQOQSA-N
XLogP3.76
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-2-(phenyliminomethyl)indol-1-yl]ethanone?
The IUPAC name of 1-[3-hydroxy-2-(phenyliminomethyl)indol-1-yl]ethanone (CID 4294031) is 1-[3-hydroxy-2-(phenyliminomethyl)indol-1-yl]ethanone.
What is the SMILES notation for 1-[3-hydroxy-2-(phenyliminomethyl)indol-1-yl]ethanone?
The canonical SMILES for 1-[3-hydroxy-2-(phenyliminomethyl)indol-1-yl]ethanone is CC(=O)n1c(/C=N/c2ccccc2)c(O)c2ccccc21.
What is the InChIKey of 1-[3-hydroxy-2-(phenyliminomethyl)indol-1-yl]ethanone?
The InChIKey is GDTVTHHTVHGYRO-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12(20)19-15-10-6-5-9-14(15)17(21)16(19)11-18-13-7-3-2-4-8-13/h2-11,21H,1H3/b18-11+.
What are the key properties of 1-[3-hydroxy-2-(phenyliminomethyl)indol-1-yl]ethanone?
1-[3-hydroxy-2-(phenyliminomethyl)indol-1-yl]ethanone has a molecular weight of 278.31 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-2-(phenyliminomethyl)indol-1-yl]ethanone is sourced from PubChem (CID 4294031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).