1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one

C15H19NO2 — CID 82279192

IUPAC1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
SMILESCCOc1ccc2[nH]c(C)c(C(=O)C(C)C)c2c1
InChIInChI=1S/C15H19NO2/c1-5-18-11-6-7-13-12(8-11)14(10(4)16-13)15(17)9(2)3/h6-9,16H,5H2,1-4H3
InChIKeyJTGRHYDJJKROSS-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.71
Rot. Bonds4

About 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one

1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one (PubChem CID 82279192) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
PubChem CID82279192
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
SMILESCCOc1ccc2[nH]c(C)c(C(=O)C(C)C)c2c1
InChIInChI=1S/C15H19NO2/c1-5-18-11-6-7-13-12(8-11)14(10(4)16-13)15(17)9(2)3/h6-9,16H,5H2,1-4H3
InChIKeyJTGRHYDJJKROSS-UHFFFAOYSA-N
XLogP3.71
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
CID 98033002
1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82079500
2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278453
2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 123676378
6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde
CID 12594754
3-(5-ethoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid
CID 84642175
2,7-diethoxy-10H-acridin-9-one
CID 163923657
ethyl 5-ethoxy-3-methyl-1H-indole-2-carboxylate
CID 4777692
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one
CID 83665775
N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 98033031
[(1S)-1-phenylethyl] 5-acetyloxy-2-methyl-1H-indole-3-carboxylate
CID 59999368

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one (CID 82279192) is 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one is CCOc1ccc2[nH]c(C)c(C(=O)C(C)C)c2c1.
What is the InChIKey of 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one?
The InChIKey is JTGRHYDJJKROSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-5-18-11-6-7-13-12(8-11)14(10(4)16-13)15(17)9(2)3/h6-9,16H,5H2,1-4H3.
What are the key properties of 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one?
1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one has a molecular weight of 245.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 82279192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).