1-(6-methyl-1H-indol-5-yl)ethanone

C11H11NO — CID 58835531

IUPAC1-(6-methyl-1H-indol-5-yl)ethanone
SMILESCC(=O)c1cc2cc[nH]c2cc1C
InChIInChI=1S/C11H11NO/c1-7-5-11-9(3-4-12-11)6-10(7)8(2)13/h3-6,12H,1-2H3
InChIKeySQDYBUDYEKUGJG-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.68
Rot. Bonds1

About 1-(6-methyl-1H-indol-5-yl)ethanone

1-(6-methyl-1H-indol-5-yl)ethanone (PubChem CID 58835531) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(6-methyl-1H-indol-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-1H-indol-5-yl)ethanone
PubChem CID58835531
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name1-(6-methyl-1H-indol-5-yl)ethanone
SMILESCC(=O)c1cc2cc[nH]c2cc1C
InChIInChI=1S/C11H11NO/c1-7-5-11-9(3-4-12-11)6-10(7)8(2)13/h3-6,12H,1-2H3
InChIKeySQDYBUDYEKUGJG-UHFFFAOYSA-N
XLogP2.68
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10256
Frovatriptan
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Indole-3-acetamide
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Indole-4-carboxaldehyde
CID 333703
Indole-5-carboxamide
CID 14973220
3-Acetylindole
CID 12802
1H-indole-3-carboxamide
CID 2192542
Indole-3-acetaldehyde
CID 800
Indole, 3-(dimethylaminoacetyl)-
CID 34863
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864
5-Carboxamidotryptamine
CID 1809
3-(3-Dimethylaminopropionyl)indole
CID 32750

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1H-indol-5-yl)ethanone?
The IUPAC name of 1-(6-methyl-1H-indol-5-yl)ethanone (CID 58835531) is 1-(6-methyl-1H-indol-5-yl)ethanone.
What is the SMILES notation for 1-(6-methyl-1H-indol-5-yl)ethanone?
The canonical SMILES for 1-(6-methyl-1H-indol-5-yl)ethanone is CC(=O)c1cc2cc[nH]c2cc1C.
What is the InChIKey of 1-(6-methyl-1H-indol-5-yl)ethanone?
The InChIKey is SQDYBUDYEKUGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-7-5-11-9(3-4-12-11)6-10(7)8(2)13/h3-6,12H,1-2H3.
What are the key properties of 1-(6-methyl-1H-indol-5-yl)ethanone?
1-(6-methyl-1H-indol-5-yl)ethanone has a molecular weight of 173.21 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1H-indol-5-yl)ethanone is sourced from PubChem (CID 58835531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).