1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one

C15H19NO — CID 82278783

IUPAC1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one
SMILESCCc1ccc2c(c1)c(C(=O)C(C)C)cn2C
InChIInChI=1S/C15H19NO/c1-5-11-6-7-14-12(8-11)13(9-16(14)4)15(17)10(2)3/h6-10H,5H2,1-4H3
InChIKeyFDQOBJXOWIDSRO-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.58
Rot. Bonds3

About 1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one

1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one (PubChem CID 82278783) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one
PubChem CID82278783
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one
SMILESCCc1ccc2c(c1)c(C(=O)C(C)C)cn2C
InChIInChI=1S/C15H19NO/c1-5-11-6-7-14-12(8-11)13(9-16(14)4)15(17)10(2)3/h6-10H,5H2,1-4H3
InChIKeyFDQOBJXOWIDSRO-UHFFFAOYSA-N
XLogP3.58
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1-methylindole-3-carboxylic acid
CID 82278766
3-(5-ethyl-1-methylindol-3-yl)butanoic acid
CID 82278686
(5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone
CID 95432972
(5-ethyl-1-methylindol-3-yl)methanamine
CID 82490826
2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one
CID 162765604
3-(5-ethyl-1-methylindol-3-yl)propan-1-ol
CID 82278629
5-ethyl-3-fluoro-1-methylindole;propane
CID 176701533
1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one
CID 168925957
1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one
CID 162765617
1-(5-iodo-1-methylindol-3-yl)-2-(methylamino)propan-1-one
CID 162765683
1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one
CID 162765541
methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83947740

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one (CID 82278783) is 1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one is CCc1ccc2c(c1)c(C(=O)C(C)C)cn2C.
What is the InChIKey of 1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one?
The InChIKey is FDQOBJXOWIDSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-5-11-6-7-14-12(8-11)13(9-16(14)4)15(17)10(2)3/h6-10H,5H2,1-4H3.
What are the key properties of 1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one?
1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one has a molecular weight of 229.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 82278783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).