1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone

C13H15NO2 — CID 82372628

IUPAC1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone
SMILESCOc1ccc(C)c2cc(C(C)=O)n(C)c12
InChIInChI=1S/C13H15NO2/c1-8-5-6-12(16-4)13-10(8)7-11(9(2)15)14(13)3/h5-7H,1-4H3
InChIKeyAJZRBUBAOMKYJF-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.70
Rot. Bonds2

About 1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone

1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone (PubChem CID 82372628) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone
PubChem CID82372628
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone
SMILESCOc1ccc(C)c2cc(C(C)=O)n(C)c12
InChIInChI=1S/C13H15NO2/c1-8-5-6-12(16-4)13-10(8)7-11(9(2)15)14(13)3/h5-7H,1-4H3
InChIKeyAJZRBUBAOMKYJF-UHFFFAOYSA-N
XLogP2.70
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-1,4-dimethylindole-2-carboxylic acid
CID 83486446
methyl 7-methoxy-1,4-dimethylindole-2-carboxylate
CID 132843169
4,7-dimethoxy-1-methylindole-2-carboxylate
CID 6953965
methyl 4,7-dimethoxy-1-methylindole-2-carboxylate
CID 4777665
2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid
CID 83859941
3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid
CID 84741857
1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone
CID 82495458
1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone
CID 11333653
(4,7-dimethoxy-1-methylindol-2-yl)-morpholin-4-ylmethanone
CID 86207297
2-acetyl-1,4,6-trimethylpyrrolo[2,3-c]pyridin-7-one
CID 159359246
(2S)-2-[[(2S)-2-[(4,7-dimethoxy-1-methylindole-2-carbonyl)amino]propanoyl]amino]propanoic acid
CID 7070161
1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone
CID 82498460

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone?
The IUPAC name of 1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone (CID 82372628) is 1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone.
What is the SMILES notation for 1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone?
The canonical SMILES for 1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone is COc1ccc(C)c2cc(C(C)=O)n(C)c12.
What is the InChIKey of 1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone?
The InChIKey is AJZRBUBAOMKYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-5-6-12(16-4)13-10(8)7-11(9(2)15)14(13)3/h5-7H,1-4H3.
What are the key properties of 1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone?
1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone has a molecular weight of 217.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone is sourced from PubChem (CID 82372628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).