3-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one

C16H12N2O2 — CID 56687828

IUPAC3-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H12N2O2/c19-15-16(20,11-6-2-4-8-13(11)18-15)14-9-10-5-1-3-7-12(10)17-14/h1-9,17,20H,(H,18,19)
InChIKeyITCWLRYJKKIYJQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.36
Rot. Bonds1

About 3-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one

3-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one (PubChem CID 56687828) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one
PubChem CID56687828
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name3-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H12N2O2/c19-15-16(20,11-6-2-4-8-13(11)18-15)14-9-10-5-1-3-7-12(10)17-14/h1-9,17,20H,(H,18,19)
InChIKeyITCWLRYJKKIYJQ-UHFFFAOYSA-N
XLogP2.36
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-3-(1H-indol-2-yl)-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-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one (CID 56687828) is 3-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one is O=C1Nc2ccccc2C1(O)c1cc2ccccc2[nH]1.
What is the InChIKey of 3-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one?
The InChIKey is ITCWLRYJKKIYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-15-16(20,11-6-2-4-8-13(11)18-15)14-9-10-5-1-3-7-12(10)17-14/h1-9,17,20H,(H,18,19).
What are the key properties of 3-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one?
3-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one has a molecular weight of 264.28 g/mol, XLogP of 2.36, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one is sourced from PubChem (CID 56687828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).