1-(1-ethyl-4-methylindol-3-yl)ethanone

C13H15NO — CID 117119610

IUPAC1-(1-ethyl-4-methylindol-3-yl)ethanone
SMILESCCn1cc(C(C)=O)c2c(C)cccc21
InChIInChI=1S/C13H15NO/c1-4-14-8-11(10(3)15)13-9(2)6-5-7-12(13)14/h5-8H,4H2,1-3H3
InChIKeyBBWHCCOGXDAMJM-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.17
Rot. Bonds2

About 1-(1-ethyl-4-methylindol-3-yl)ethanone

1-(1-ethyl-4-methylindol-3-yl)ethanone (PubChem CID 117119610) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(1-ethyl-4-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethyl-4-methylindol-3-yl)ethanone
PubChem CID117119610
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(1-ethyl-4-methylindol-3-yl)ethanone
SMILESCCn1cc(C(C)=O)c2c(C)cccc21
InChIInChI=1S/C13H15NO/c1-4-14-8-11(10(3)15)13-9(2)6-5-7-12(13)14/h5-8H,4H2,1-3H3
InChIKeyBBWHCCOGXDAMJM-UHFFFAOYSA-N
XLogP3.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methylindol-3-yl)ethanone?
The IUPAC name of 1-(1-ethyl-4-methylindol-3-yl)ethanone (CID 117119610) is 1-(1-ethyl-4-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-(1-ethyl-4-methylindol-3-yl)ethanone?
The canonical SMILES for 1-(1-ethyl-4-methylindol-3-yl)ethanone is CCn1cc(C(C)=O)c2c(C)cccc21.
What is the InChIKey of 1-(1-ethyl-4-methylindol-3-yl)ethanone?
The InChIKey is BBWHCCOGXDAMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-14-8-11(10(3)15)13-9(2)6-5-7-12(13)14/h5-8H,4H2,1-3H3.
What are the key properties of 1-(1-ethyl-4-methylindol-3-yl)ethanone?
1-(1-ethyl-4-methylindol-3-yl)ethanone has a molecular weight of 201.27 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methylindol-3-yl)ethanone is sourced from PubChem (CID 117119610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).