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

C17H14N2O2 — CID 3828343

IUPAC3-hydroxy-3-(1H-indol-3-yl)-1-methylindol-2-one
SMILESCN1C(=O)C(O)(c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C17H14N2O2/c1-19-15-9-5-3-7-12(15)17(21,16(19)20)13-10-18-14-8-4-2-6-11(13)14/h2-10,18,21H,1H3
InChIKeyTZMAFVABXKVNAC-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.38
Rot. Bonds1

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

3-hydroxy-3-(1H-indol-3-yl)-1-methylindol-2-one (PubChem CID 3828343) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-hydroxy-3-(1H-indol-3-yl)-1-methylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(1H-indol-3-yl)-1-methylindol-2-one
PubChem CID3828343
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-hydroxy-3-(1H-indol-3-yl)-1-methylindol-2-one
SMILESCN1C(=O)C(O)(c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C17H14N2O2/c1-19-15-9-5-3-7-12(15)17(21,16(19)20)13-10-18-14-8-4-2-6-11(13)14/h2-10,18,21H,1H3
InChIKeyTZMAFVABXKVNAC-UHFFFAOYSA-N
XLogP2.38
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(1H-indol-3-yl)-1-methylindol-2-one?
The IUPAC name of 3-hydroxy-3-(1H-indol-3-yl)-1-methylindol-2-one (CID 3828343) is 3-hydroxy-3-(1H-indol-3-yl)-1-methylindol-2-one.
What is the SMILES notation for 3-hydroxy-3-(1H-indol-3-yl)-1-methylindol-2-one?
The canonical SMILES for 3-hydroxy-3-(1H-indol-3-yl)-1-methylindol-2-one is CN1C(=O)C(O)(c2c[nH]c3ccccc23)c2ccccc21.
What is the InChIKey of 3-hydroxy-3-(1H-indol-3-yl)-1-methylindol-2-one?
The InChIKey is TZMAFVABXKVNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-19-15-9-5-3-7-12(15)17(21,16(19)20)13-10-18-14-8-4-2-6-11(13)14/h2-10,18,21H,1H3.
What are the key properties of 3-hydroxy-3-(1H-indol-3-yl)-1-methylindol-2-one?
3-hydroxy-3-(1H-indol-3-yl)-1-methylindol-2-one has a molecular weight of 278.31 g/mol, XLogP of 2.38, 1 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-methylindol-2-one is sourced from PubChem (CID 3828343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).