1-(4,5-dimethyl-1H-indol-3-yl)ethanone

C12H13NO — CID 82405420

IUPAC1-(4,5-dimethyl-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2ccc(C)c(C)c12
InChIInChI=1S/C12H13NO/c1-7-4-5-11-12(8(7)2)10(6-13-11)9(3)14/h4-6,13H,1-3H3
InChIKeyAVMUDDXEUPEOKL-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.99
Rot. Bonds1

About 1-(4,5-dimethyl-1H-indol-3-yl)ethanone

1-(4,5-dimethyl-1H-indol-3-yl)ethanone (PubChem CID 82405420) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4,5-dimethyl-1H-indol-3-yl)ethanone
PubChem CID82405420
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-(4,5-dimethyl-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2ccc(C)c(C)c12
InChIInChI=1S/C12H13NO/c1-7-4-5-11-12(8(7)2)10(6-13-11)9(3)14/h4-6,13H,1-3H3
InChIKeyAVMUDDXEUPEOKL-UHFFFAOYSA-N
XLogP2.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4,5-dimethyl-1H-indol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone
CID 96610998
3,5,6-trimethyl-1H-quinolin-4-one
CID 58678059
1-(3H-benzo[e]indol-1-yl)ethanone
CID 170857784
1-(2,3,4-trimethylphenyl)ethanone
CID 590291
3-acetyl-4,7-dimethyl-1H-indole-5-carboxylic acid
CID 83947065
1-[5-(dimethylamino)-1H-indol-3-yl]ethanone
CID 82397112
1-(6-acetyl-3H-pyrrolo[2,3-c]carbazol-1-yl)ethanone
CID 12664561
1-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)ethanone
CID 15591627
3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one
CID 58281407
1-(5-sulfanyl-1H-indol-3-yl)ethanone
CID 163965860
1-(2-chloro-3,4-dimethylphenyl)ethanone
CID 90395223
1-(2-acetyl-3,4-dimethylphenyl)ethanone;methane
CID 175205419

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(4,5-dimethyl-1H-indol-3-yl)ethanone (CID 82405420) is 1-(4,5-dimethyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(4,5-dimethyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(4,5-dimethyl-1H-indol-3-yl)ethanone is CC(=O)c1c[nH]c2ccc(C)c(C)c12.
What is the InChIKey of 1-(4,5-dimethyl-1H-indol-3-yl)ethanone?
The InChIKey is AVMUDDXEUPEOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-7-4-5-11-12(8(7)2)10(6-13-11)9(3)14/h4-6,13H,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1H-indol-3-yl)ethanone?
1-(4,5-dimethyl-1H-indol-3-yl)ethanone has a molecular weight of 187.24 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 82405420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).