1-(1,4-dimethylindol-3-yl)ethanone

C12H13NO — CID 82655711

IUPAC1-(1,4-dimethylindol-3-yl)ethanone
SMILESCC(=O)c1cn(C)c2cccc(C)c12
InChIInChI=1S/C12H13NO/c1-8-5-4-6-11-12(8)10(9(2)14)7-13(11)3/h4-7H,1-3H3
InChIKeyJAQQLIALSBBJEK-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.69
Rot. Bonds1

About 1-(1,4-dimethylindol-3-yl)ethanone

1-(1,4-dimethylindol-3-yl)ethanone (PubChem CID 82655711) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(1,4-dimethylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-dimethylindol-3-yl)ethanone
PubChem CID82655711
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-(1,4-dimethylindol-3-yl)ethanone
SMILESCC(=O)c1cn(C)c2cccc(C)c12
InChIInChI=1S/C12H13NO/c1-8-5-4-6-11-12(8)10(9(2)14)7-13(11)3/h4-7H,1-3H3
InChIKeyJAQQLIALSBBJEK-UHFFFAOYSA-N
XLogP2.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-1-methylindol-3-yl)ethanone
CID 82655872
1-(1-ethyl-4-methylindol-3-yl)ethanone
CID 117119610
1,4-dimethylindol-3-amine
CID 89174209
(6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone
CID 87604851
2-(1,4-dimethylindol-3-yl)acetaldehyde
CID 117194756
1,5-dimethylquinolin-4-one
CID 138533371
3-acetyl-7-(1,3-dihydroisoindol-2-yl)-1,5,6-trimethylquinolin-4-one
CID 20663993
1-cyclopropyl-4-methylindole-3-carboxylic acid
CID 115029078
1-(1-acetyl-4-fluoroindol-3-yl)ethanone
CID 141379951
3-acetyl-1-methylindole-6-carboxylic acid
CID 59337680
1-(1,4,5-trimethylpyrrol-3-yl)ethanone
CID 45085818
2-(1,3-dimethylindol-4-yl)propan-2-ol
CID 15852030

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylindol-3-yl)ethanone?
The IUPAC name of 1-(1,4-dimethylindol-3-yl)ethanone (CID 82655711) is 1-(1,4-dimethylindol-3-yl)ethanone.
What is the SMILES notation for 1-(1,4-dimethylindol-3-yl)ethanone?
The canonical SMILES for 1-(1,4-dimethylindol-3-yl)ethanone is CC(=O)c1cn(C)c2cccc(C)c12.
What is the InChIKey of 1-(1,4-dimethylindol-3-yl)ethanone?
The InChIKey is JAQQLIALSBBJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-5-4-6-11-12(8)10(9(2)14)7-13(11)3/h4-7H,1-3H3.
What are the key properties of 1-(1,4-dimethylindol-3-yl)ethanone?
1-(1,4-dimethylindol-3-yl)ethanone has a molecular weight of 187.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylindol-3-yl)ethanone is sourced from PubChem (CID 82655711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).