1-(5-hydroxy-1,2-dimethylindol-3-yl)ethanone

C12H13NO2 — CID 750304

IUPAC1-(5-hydroxy-1,2-dimethylindol-3-yl)ethanone
SMILESCC(=O)c1c(C)n(C)c2ccc(O)cc12
InChIInChI=1S/C12H13NO2/c1-7-12(8(2)14)10-6-9(15)4-5-11(10)13(7)3/h4-6,15H,1-3H3
InChIKeyKBKVVYIQKBYAGD-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.39
Rot. Bonds1

About 1-(5-hydroxy-1,2-dimethylindol-3-yl)ethanone

1-(5-hydroxy-1,2-dimethylindol-3-yl)ethanone (PubChem CID 750304) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(5-hydroxy-1,2-dimethylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-1,2-dimethylindol-3-yl)ethanone
PubChem CID750304
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(5-hydroxy-1,2-dimethylindol-3-yl)ethanone
SMILESCC(=O)c1c(C)n(C)c2ccc(O)cc12
InChIInChI=1S/C12H13NO2/c1-7-12(8(2)14)10-6-9(15)4-5-11(10)13(7)3/h4-6,15H,1-3H3
InChIKeyKBKVVYIQKBYAGD-UHFFFAOYSA-N
XLogP2.39
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-1,2-dimethylindol-3-yl)ethanone?
The IUPAC name of 1-(5-hydroxy-1,2-dimethylindol-3-yl)ethanone (CID 750304) is 1-(5-hydroxy-1,2-dimethylindol-3-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-1,2-dimethylindol-3-yl)ethanone?
The canonical SMILES for 1-(5-hydroxy-1,2-dimethylindol-3-yl)ethanone is CC(=O)c1c(C)n(C)c2ccc(O)cc12.
What is the InChIKey of 1-(5-hydroxy-1,2-dimethylindol-3-yl)ethanone?
The InChIKey is KBKVVYIQKBYAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-12(8(2)14)10-6-9(15)4-5-11(10)13(7)3/h4-6,15H,1-3H3.
What are the key properties of 1-(5-hydroxy-1,2-dimethylindol-3-yl)ethanone?
1-(5-hydroxy-1,2-dimethylindol-3-yl)ethanone has a molecular weight of 203.24 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-1,2-dimethylindol-3-yl)ethanone is sourced from PubChem (CID 750304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).