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

C17H14N2O — CID 156583091

IUPAC2-(1H-indol-3-yl)-2-methyl-1H-indol-3-one
SMILESCC1(c2c[nH]c3ccccc23)Nc2ccccc2C1=O
InChIInChI=1S/C17H14N2O/c1-17(13-10-18-14-8-4-2-6-11(13)14)16(20)12-7-3-5-9-15(12)19-17/h2-10,18-19H,1H3
InChIKeySICXSECDUCIVAU-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.69
Rot. Bonds1

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

2-(1H-indol-3-yl)-2-methyl-1H-indol-3-one (PubChem CID 156583091) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-methyl-1H-indol-3-one.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-methyl-1H-indol-3-one
PubChem CID156583091
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-(1H-indol-3-yl)-2-methyl-1H-indol-3-one
SMILESCC1(c2c[nH]c3ccccc23)Nc2ccccc2C1=O
InChIInChI=1S/C17H14N2O/c1-17(13-10-18-14-8-4-2-6-11(13)14)16(20)12-7-3-5-9-15(12)19-17/h2-10,18-19H,1H3
InChIKeySICXSECDUCIVAU-UHFFFAOYSA-N
XLogP3.69
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-methyl-1H-indol-3-one?
The IUPAC name of 2-(1H-indol-3-yl)-2-methyl-1H-indol-3-one (CID 156583091) is 2-(1H-indol-3-yl)-2-methyl-1H-indol-3-one.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-methyl-1H-indol-3-one?
The canonical SMILES for 2-(1H-indol-3-yl)-2-methyl-1H-indol-3-one is CC1(c2c[nH]c3ccccc23)Nc2ccccc2C1=O.
What is the InChIKey of 2-(1H-indol-3-yl)-2-methyl-1H-indol-3-one?
The InChIKey is SICXSECDUCIVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-17(13-10-18-14-8-4-2-6-11(13)14)16(20)12-7-3-5-9-15(12)19-17/h2-10,18-19H,1H3.
What are the key properties of 2-(1H-indol-3-yl)-2-methyl-1H-indol-3-one?
2-(1H-indol-3-yl)-2-methyl-1H-indol-3-one has a molecular weight of 262.31 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-methyl-1H-indol-3-one is sourced from PubChem (CID 156583091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).