3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one

C18H16N2O2 — CID 2951041

IUPAC3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one
SMILESCc1ccc2c(c1)C(O)(c1c(C)[nH]c3ccccc13)C(=O)N2
InChIInChI=1S/C18H16N2O2/c1-10-7-8-15-13(9-10)18(22,17(21)20-15)16-11(2)19-14-6-4-3-5-12(14)16/h3-9,19,22H,1-2H3,(H,20,21)
InChIKeyHVXXRYOVSSCAAY-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.97
Rot. Bonds1

About 3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one

3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one (PubChem CID 2951041) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one
PubChem CID2951041
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one
SMILESCc1ccc2c(c1)C(O)(c1c(C)[nH]c3ccccc13)C(=O)N2
InChIInChI=1S/C18H16N2O2/c1-10-7-8-15-13(9-10)18(22,17(21)20-15)16-11(2)19-14-6-4-3-5-12(14)16/h3-9,19,22H,1-2H3,(H,20,21)
InChIKeyHVXXRYOVSSCAAY-UHFFFAOYSA-N
XLogP2.97
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one (CID 2951041) is 3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one is Cc1ccc2c(c1)C(O)(c1c(C)[nH]c3ccccc13)C(=O)N2.
What is the InChIKey of 3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one?
The InChIKey is HVXXRYOVSSCAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-10-7-8-15-13(9-10)18(22,17(21)20-15)16-11(2)19-14-6-4-3-5-12(14)16/h3-9,19,22H,1-2H3,(H,20,21).
What are the key properties of 3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one?
3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one has a molecular weight of 292.34 g/mol, XLogP of 2.97, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one is sourced from PubChem (CID 2951041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).