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

C14H17NO — CID 43163357

IUPAC2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one
SMILESCc1cccc2[nH]cc(C(=O)C(C)(C)C)c12
InChIInChI=1S/C14H17NO/c1-9-6-5-7-11-12(9)10(8-15-11)13(16)14(2,3)4/h5-8,15H,1-4H3
InChIKeyOMNRPTMVFKPEDI-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.71
Rot. Bonds1

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

2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one (PubChem CID 43163357) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one
PubChem CID43163357
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one
SMILESCc1cccc2[nH]cc(C(=O)C(C)(C)C)c12
InChIInChI=1S/C14H17NO/c1-9-6-5-7-11-12(9)10(8-15-11)13(16)14(2,3)4/h5-8,15H,1-4H3
InChIKeyOMNRPTMVFKPEDI-UHFFFAOYSA-N
XLogP3.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 115351529
3-(2,2-dimethylpropanoyl)-1H-indole-4-carbonitrile
CID 107918562
1-(4-methyl-1H-indol-3-yl)-2-phenylethane-1,2-dione
CID 135028802
4-methyl-3-prop-1-en-2-yl-1H-indole
CID 143884090
1-(4-methyl-1H-indol-3-yl)pentan-1-one
CID 43163359
(4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43341896
1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one
CID 82781940
3-methyl-1H-indole-4-carboxylate
CID 51777087
(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 81472357
2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone
CID 43163365
(2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 107949775
(3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone
CID 63796678

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one (CID 43163357) is 2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one is Cc1cccc2[nH]cc(C(=O)C(C)(C)C)c12.
What is the InChIKey of 2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one?
The InChIKey is OMNRPTMVFKPEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9-6-5-7-11-12(9)10(8-15-11)13(16)14(2,3)4/h5-8,15H,1-4H3.
What are the key properties of 2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one?
2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one has a molecular weight of 215.30 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 43163357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).