1-(1-methylindol-3-yl)ethanone

C11H11NO — CID 594156

IUPAC1-(1-methylindol-3-yl)ethanone
SMILESCC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C11H11NO/c1-8(13)10-7-12(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3
InChIKeyHYLFRICFKVJJOZ-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.38
Rot. Bonds1

About 1-(1-methylindol-3-yl)ethanone

1-(1-methylindol-3-yl)ethanone (PubChem CID 594156) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylindol-3-yl)ethanone
PubChem CID594156
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name1-(1-methylindol-3-yl)ethanone
SMILESCC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C11H11NO/c1-8(13)10-7-12(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3
InChIKeyHYLFRICFKVJJOZ-UHFFFAOYSA-N
XLogP2.38
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-3-yl)ethanone?
The IUPAC name of 1-(1-methylindol-3-yl)ethanone (CID 594156) is 1-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-(1-methylindol-3-yl)ethanone is CC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of 1-(1-methylindol-3-yl)ethanone?
The InChIKey is HYLFRICFKVJJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8(13)10-7-12(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3.
What are the key properties of 1-(1-methylindol-3-yl)ethanone?
1-(1-methylindol-3-yl)ethanone has a molecular weight of 173.21 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 594156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).