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

C13H15NO2 — CID 744720

IUPAC1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)c(C)n2C
InChIInChI=1S/C13H15NO2/c1-8-13(9(2)15)11-7-10(16-4)5-6-12(11)14(8)3/h5-7H,1-4H3
InChIKeyZUMAKYZWDBDHIG-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.70
Rot. Bonds2

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

1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone (PubChem CID 744720) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
PubChem CID744720
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)c(C)n2C
InChIInChI=1S/C13H15NO2/c1-8-13(9(2)15)11-7-10(16-4)5-6-12(11)14(8)3/h5-7H,1-4H3
InChIKeyZUMAKYZWDBDHIG-UHFFFAOYSA-N
XLogP2.70
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The IUPAC name of 1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone (CID 744720) is 1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone.
What is the SMILES notation for 1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The canonical SMILES for 1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone is COc1ccc2c(c1)c(C(C)=O)c(C)n2C.
What is the InChIKey of 1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The InChIKey is ZUMAKYZWDBDHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-13(9(2)15)11-7-10(16-4)5-6-12(11)14(8)3/h5-7H,1-4H3.
What are the key properties of 1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone has a molecular weight of 217.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone is sourced from PubChem (CID 744720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).