1-(4-methyl-1H-indol-3-yl)propan-2-one

C12H13NO — CID 28806622

IUPAC1-(4-methyl-1H-indol-3-yl)propan-2-one
SMILESCC(=O)Cc1c[nH]c2cccc(C)c12
InChIInChI=1S/C12H13NO/c1-8-4-3-5-11-12(8)10(7-13-11)6-9(2)14/h3-5,7,13H,6H2,1-2H3
InChIKeyNOFFVBLLCAXGAT-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.61
Rot. Bonds2

About 1-(4-methyl-1H-indol-3-yl)propan-2-one

1-(4-methyl-1H-indol-3-yl)propan-2-one (PubChem CID 28806622) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(4-methyl-1H-indol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-methyl-1H-indol-3-yl)propan-2-one
PubChem CID28806622
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-(4-methyl-1H-indol-3-yl)propan-2-one
SMILESCC(=O)Cc1c[nH]c2cccc(C)c12
InChIInChI=1S/C12H13NO/c1-8-4-3-5-11-12(8)10(7-13-11)6-9(2)14/h3-5,7,13H,6H2,1-2H3
InChIKeyNOFFVBLLCAXGAT-UHFFFAOYSA-N
XLogP2.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methyl-1H-indol-3-yl)acetamide
CID 24905096
2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol
CID 117194759
(2S)-2-azaniumyl-3-(4-methyl-1H-indol-3-yl)propanoate
CID 6951138
2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone
CID 110833761
4-methyl-3-(methylsulfonylmethyl)-1H-indole
CID 117184546
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methyl-1H-indol-3-yl)ethanone
CID 110853564
1-(4,5-dichloro-1H-indol-3-yl)propan-2-one
CID 82622105
2-methyl-3-[methyl-[2-(4-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 119228729
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-1H-indol-3-yl)acetamide
CID 111696322
2-[2-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242531
4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119251873

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1H-indol-3-yl)propan-2-one?
The IUPAC name of 1-(4-methyl-1H-indol-3-yl)propan-2-one (CID 28806622) is 1-(4-methyl-1H-indol-3-yl)propan-2-one.
What is the SMILES notation for 1-(4-methyl-1H-indol-3-yl)propan-2-one?
The canonical SMILES for 1-(4-methyl-1H-indol-3-yl)propan-2-one is CC(=O)Cc1c[nH]c2cccc(C)c12.
What is the InChIKey of 1-(4-methyl-1H-indol-3-yl)propan-2-one?
The InChIKey is NOFFVBLLCAXGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-4-3-5-11-12(8)10(7-13-11)6-9(2)14/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 1-(4-methyl-1H-indol-3-yl)propan-2-one?
1-(4-methyl-1H-indol-3-yl)propan-2-one has a molecular weight of 187.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1H-indol-3-yl)propan-2-one is sourced from PubChem (CID 28806622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).