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

C19H18N2O2 — CID 3642928

IUPAC3-hydroxy-3-(1H-indol-3-yl)-1-propan-2-ylindol-2-one
SMILESCC(C)N1C(=O)C(O)(c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C19H18N2O2/c1-12(2)21-17-10-6-4-8-14(17)19(23,18(21)22)15-11-20-16-9-5-3-7-13(15)16/h3-12,20,23H,1-2H3
InChIKeyGYQXTTPCZDSQIZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.16
Rot. Bonds2

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

3-hydroxy-3-(1H-indol-3-yl)-1-propan-2-ylindol-2-one (PubChem CID 3642928) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-hydroxy-3-(1H-indol-3-yl)-1-propan-2-ylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(1H-indol-3-yl)-1-propan-2-ylindol-2-one
PubChem CID3642928
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-hydroxy-3-(1H-indol-3-yl)-1-propan-2-ylindol-2-one
SMILESCC(C)N1C(=O)C(O)(c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C19H18N2O2/c1-12(2)21-17-10-6-4-8-14(17)19(23,18(21)22)15-11-20-16-9-5-3-7-13(15)16/h3-12,20,23H,1-2H3
InChIKeyGYQXTTPCZDSQIZ-UHFFFAOYSA-N
XLogP3.16
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-3-(1H-indol-3-yl)-1-propan-2-ylindol-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-3-yl)-1-propan-2-ylindol-2-one?
The IUPAC name of 3-hydroxy-3-(1H-indol-3-yl)-1-propan-2-ylindol-2-one (CID 3642928) is 3-hydroxy-3-(1H-indol-3-yl)-1-propan-2-ylindol-2-one.
What is the SMILES notation for 3-hydroxy-3-(1H-indol-3-yl)-1-propan-2-ylindol-2-one?
The canonical SMILES for 3-hydroxy-3-(1H-indol-3-yl)-1-propan-2-ylindol-2-one is CC(C)N1C(=O)C(O)(c2c[nH]c3ccccc23)c2ccccc21.
What is the InChIKey of 3-hydroxy-3-(1H-indol-3-yl)-1-propan-2-ylindol-2-one?
The InChIKey is GYQXTTPCZDSQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12(2)21-17-10-6-4-8-14(17)19(23,18(21)22)15-11-20-16-9-5-3-7-13(15)16/h3-12,20,23H,1-2H3.
What are the key properties of 3-hydroxy-3-(1H-indol-3-yl)-1-propan-2-ylindol-2-one?
3-hydroxy-3-(1H-indol-3-yl)-1-propan-2-ylindol-2-one has a molecular weight of 306.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(1H-indol-3-yl)-1-propan-2-ylindol-2-one is sourced from PubChem (CID 3642928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).