1-(1-ethylindol-5-yl)butan-1-one

C14H17NO — CID 71284644

IUPAC1-(1-ethylindol-5-yl)butan-1-one
SMILESCCCC(=O)c1ccc2c(ccn2CC)c1
InChIInChI=1S/C14H17NO/c1-3-5-14(16)12-6-7-13-11(10-12)8-9-15(13)4-2/h6-10H,3-5H2,1-2H3
InChIKeyJDZYFEFGZIOXRC-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.64
Rot. Bonds4

About 1-(1-ethylindol-5-yl)butan-1-one

1-(1-ethylindol-5-yl)butan-1-one (PubChem CID 71284644) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(1-ethylindol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-(1-ethylindol-5-yl)butan-1-one
PubChem CID71284644
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(1-ethylindol-5-yl)butan-1-one
SMILESCCCC(=O)c1ccc2c(ccn2CC)c1
InChIInChI=1S/C14H17NO/c1-3-5-14(16)12-6-7-13-11(10-12)8-9-15(13)4-2/h6-10H,3-5H2,1-2H3
InChIKeyJDZYFEFGZIOXRC-UHFFFAOYSA-N
XLogP3.64
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
(1-ethylindol-5-yl) acetate
CID 57170525
1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide
CID 95548821
3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 71819831
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide
CID 77085920
N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide
CID 125169183
1-(2-oxopropyl)indole-5-carboxylic acid
CID 90317816
2-(1-ethylindol-5-yl)acetaldehyde
CID 115106765
1-(2-ethylsulfonylethyl)indole-5-carboxylic acid
CID 55230604
methyl 1-ethylindole-6-carboxylate
CID 22467242
3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one
CID 71840841
1-[3-(methylamino)-3-oxopropyl]indole-5-carboxylic acid
CID 63749471

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindol-5-yl)butan-1-one?
The IUPAC name of 1-(1-ethylindol-5-yl)butan-1-one (CID 71284644) is 1-(1-ethylindol-5-yl)butan-1-one.
What is the SMILES notation for 1-(1-ethylindol-5-yl)butan-1-one?
The canonical SMILES for 1-(1-ethylindol-5-yl)butan-1-one is CCCC(=O)c1ccc2c(ccn2CC)c1.
What is the InChIKey of 1-(1-ethylindol-5-yl)butan-1-one?
The InChIKey is JDZYFEFGZIOXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-5-14(16)12-6-7-13-11(10-12)8-9-15(13)4-2/h6-10H,3-5H2,1-2H3.
What are the key properties of 1-(1-ethylindol-5-yl)butan-1-one?
1-(1-ethylindol-5-yl)butan-1-one has a molecular weight of 215.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindol-5-yl)butan-1-one is sourced from PubChem (CID 71284644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).