1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one

C16H21NO2 — CID 80643029

IUPAC1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one
SMILESCCOc1ccc2c(ccn2CC(=O)C(C)CC)c1
InChIInChI=1S/C16H21NO2/c1-4-12(3)16(18)11-17-9-8-13-10-14(19-5-2)6-7-15(13)17/h6-10,12H,4-5,11H2,1-3H3
InChIKeyLBKVWQFXBBQAGN-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.66
Rot. Bonds6

About 1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one

1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one (PubChem CID 80643029) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one.

Molecular Properties

Compound Name1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one
PubChem CID80643029
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one
SMILESCCOc1ccc2c(ccn2CC(=O)C(C)CC)c1
InChIInChI=1S/C16H21NO2/c1-4-12(3)16(18)11-17-9-8-13-10-14(19-5-2)6-7-15(13)17/h6-10,12H,4-5,11H2,1-3H3
InChIKeyLBKVWQFXBBQAGN-UHFFFAOYSA-N
XLogP3.66
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one
CID 80643678
ethyl 4-(5-ethoxyindol-1-yl)-3-oxobutanoate
CID 80649255
4-(5-ethoxyindol-1-yl)butan-2-ol
CID 116624097
2-chloro-3-(5-ethoxyindol-1-yl)propanoic acid
CID 113398041
5-ethoxy-1-(3-methylbutyl)indole
CID 110830943
N-methyl-N-propan-2-yl-2-(5-propoxyindol-1-yl)acetamide
CID 116625664
1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone
CID 104751578
N-cyclopropyl-2-(5-ethoxyindol-1-yl)-N-ethylacetamide
CID 116623952
N-(cyclopropylmethyl)-2-(5-ethoxyindol-1-yl)acetamide
CID 116624063
2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 80649251
ethyl 4-(5-ethoxyindol-1-yl)-3-hydroxybutanoate
CID 82771296
(Z)-4-(5-ethoxyindol-1-yl)-2-methylbut-2-enoic acid
CID 80643016

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one?
The IUPAC name of 1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one (CID 80643029) is 1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one.
What is the SMILES notation for 1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one?
The canonical SMILES for 1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one is CCOc1ccc2c(ccn2CC(=O)C(C)CC)c1.
What is the InChIKey of 1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one?
The InChIKey is LBKVWQFXBBQAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-12(3)16(18)11-17-9-8-13-10-14(19-5-2)6-7-15(13)17/h6-10,12H,4-5,11H2,1-3H3.
What are the key properties of 1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one?
1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one has a molecular weight of 259.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one is sourced from PubChem (CID 80643029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).