1-methoxy-3-(5-methylindol-1-yl)propan-2-one

C13H15NO2 — CID 107507773

IUPAC1-methoxy-3-(5-methylindol-1-yl)propan-2-one
SMILESCOCC(=O)Cn1ccc2cc(C)ccc21
InChIInChI=1S/C13H15NO2/c1-10-3-4-13-11(7-10)5-6-14(13)8-12(15)9-16-2/h3-7H,8-9H2,1-2H3
InChIKeyBIFSJUMATDODPX-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.17
Rot. Bonds4

About 1-methoxy-3-(5-methylindol-1-yl)propan-2-one

1-methoxy-3-(5-methylindol-1-yl)propan-2-one (PubChem CID 107507773) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-methoxy-3-(5-methylindol-1-yl)propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-(5-methylindol-1-yl)propan-2-one
PubChem CID107507773
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-methoxy-3-(5-methylindol-1-yl)propan-2-one
SMILESCOCC(=O)Cn1ccc2cc(C)ccc21
InChIInChI=1S/C13H15NO2/c1-10-3-4-13-11(7-10)5-6-14(13)8-12(15)9-16-2/h3-7H,8-9H2,1-2H3
InChIKeyBIFSJUMATDODPX-UHFFFAOYSA-N
XLogP2.17
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methoxymethyl)-5-methylindole
CID 110831319
1-(6-bromoindol-1-yl)-3-methoxypropan-2-one
CID 107507742
N-ethyl-2-(5-methylindol-1-yl)acetamide
CID 116623028
1-(2-methoxyethyl)-5-methylindole
CID 116622979
1-[3-[4-(4-methylphenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid
CID 46868198
2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 63554603
ethyl 4-(5-methoxyindol-1-yl)-3-oxobutanoate
CID 63899069
2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116623041
2-(5-methylindol-1-yl)-N-prop-2-enylacetamide
CID 116623020
2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 63567580
1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one
CID 63555836
2-(5-methylindol-1-yl)-N-pentan-2-ylacetamide
CID 116622911

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(5-methylindol-1-yl)propan-2-one?
The IUPAC name of 1-methoxy-3-(5-methylindol-1-yl)propan-2-one (CID 107507773) is 1-methoxy-3-(5-methylindol-1-yl)propan-2-one.
What is the SMILES notation for 1-methoxy-3-(5-methylindol-1-yl)propan-2-one?
The canonical SMILES for 1-methoxy-3-(5-methylindol-1-yl)propan-2-one is COCC(=O)Cn1ccc2cc(C)ccc21.
What is the InChIKey of 1-methoxy-3-(5-methylindol-1-yl)propan-2-one?
The InChIKey is BIFSJUMATDODPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10-3-4-13-11(7-10)5-6-14(13)8-12(15)9-16-2/h3-7H,8-9H2,1-2H3.
What are the key properties of 1-methoxy-3-(5-methylindol-1-yl)propan-2-one?
1-methoxy-3-(5-methylindol-1-yl)propan-2-one has a molecular weight of 217.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(5-methylindol-1-yl)propan-2-one is sourced from PubChem (CID 107507773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).