1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone

C13H15NO2 — CID 82493293

IUPAC1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone
SMILESCOc1cc(C)cc2c(C(C)=O)c(C)[nH]c12
InChIInChI=1S/C13H15NO2/c1-7-5-10-12(9(3)15)8(2)14-13(10)11(6-7)16-4/h5-6,14H,1-4H3
InChIKeyLASPYZORCVBFBZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.00
Rot. Bonds2

About 1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone

1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone (PubChem CID 82493293) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone
PubChem CID82493293
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone
SMILESCOc1cc(C)cc2c(C(C)=O)c(C)[nH]c12
InChIInChI=1S/C13H15NO2/c1-7-5-10-12(9(3)15)8(2)14-13(10)11(6-7)16-4/h5-6,14H,1-4H3
InChIKeyLASPYZORCVBFBZ-UHFFFAOYSA-N
XLogP3.00
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-hydroxy-2,5-dimethyl-1H-indol-3-yl)ethanone
CID 105455127
7-methoxy-5-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 84641803
8-methoxy-2,6-dimethyl-1H-quinolin-4-one
CID 54773037
7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid
CID 155895736
N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine
CID 96675406
2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile
CID 82492794
8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde
CID 84626540
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane
CID 144776470
1-(1,8-dimethoxy-3,6-dimethylnaphthalen-2-yl)ethanone
CID 872909
4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one
CID 82495434
(6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 59138493

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone (CID 82493293) is 1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone is COc1cc(C)cc2c(C(C)=O)c(C)[nH]c12.
What is the InChIKey of 1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone?
The InChIKey is LASPYZORCVBFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-7-5-10-12(9(3)15)8(2)14-13(10)11(6-7)16-4/h5-6,14H,1-4H3.
What are the key properties of 1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone?
1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone has a molecular weight of 217.27 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 82493293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).