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

C17H14N2O2 — CID 4555359

IUPAC3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one
SMILESCc1[nH]c2ccccc2c1C1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C17H14N2O2/c1-10-15(11-6-2-4-8-13(11)18-10)17(21)12-7-3-5-9-14(12)19-16(17)20/h2-9,18,21H,1H3,(H,19,20)
InChIKeyQIVBMXLBQKXGFD-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.66
Rot. Bonds1

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

3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one (PubChem CID 4555359) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one
PubChem CID4555359
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one
SMILESCc1[nH]c2ccccc2c1C1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C17H14N2O2/c1-10-15(11-6-2-4-8-13(11)18-10)17(21)12-7-3-5-9-14(12)19-16(17)20/h2-9,18,21H,1H3,(H,19,20)
InChIKeyQIVBMXLBQKXGFD-UHFFFAOYSA-N
XLogP2.66
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one (CID 4555359) is 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one is Cc1[nH]c2ccccc2c1C1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one?
The InChIKey is QIVBMXLBQKXGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-10-15(11-6-2-4-8-13(11)18-10)17(21)12-7-3-5-9-14(12)19-16(17)20/h2-9,18,21H,1H3,(H,19,20).
What are the key properties of 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one?
3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one has a molecular weight of 278.31 g/mol, XLogP of 2.66, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one is sourced from PubChem (CID 4555359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).