2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one

C15H19NO — CID 55220154

IUPAC2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one
SMILESCCC(C)(C)C(=O)c1c[nH]c2ccc(C)cc12
InChIInChI=1S/C15H19NO/c1-5-15(3,4)14(17)12-9-16-13-7-6-10(2)8-11(12)13/h6-9,16H,5H2,1-4H3
InChIKeyMJIJXNBRHDWKPY-UHFFFAOYSA-N
MW229.32 g/mol
LogP4.10
Rot. Bonds3

About 2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one

2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one (PubChem CID 55220154) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one
PubChem CID55220154
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one
SMILESCCC(C)(C)C(=O)c1c[nH]c2ccc(C)cc12
InChIInChI=1S/C15H19NO/c1-5-15(3,4)14(17)12-9-16-13-7-6-10(2)8-11(12)13/h6-9,16H,5H2,1-4H3
InChIKeyMJIJXNBRHDWKPY-UHFFFAOYSA-N
XLogP4.10
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,2-dimethylbutanoyl)-1H-indole-5-carbonitrile
CID 114015915
2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)butan-1-one
CID 62679540
4-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid
CID 63554781
2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone
CID 63553709
2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone
CID 63555315
1-(5-fluoro-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 53415729
(5-methyl-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63555314
(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555156
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one
CID 62678587
5-(4-methylphenyl)-1H-indole-3-carboxylic acid
CID 82297777
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 7735516

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one?
The IUPAC name of 2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one (CID 55220154) is 2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one is CCC(C)(C)C(=O)c1c[nH]c2ccc(C)cc12.
What is the InChIKey of 2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one?
The InChIKey is MJIJXNBRHDWKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-5-15(3,4)14(17)12-9-16-13-7-6-10(2)8-11(12)13/h6-9,16H,5H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one?
2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one has a molecular weight of 229.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 55220154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).