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

C16H21NO2 — CID 80642881

IUPAC1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1c[nH]c2ccc(OCC)cc12
InChIInChI=1S/C16H21NO2/c1-4-6-11(3)16(18)14-10-17-15-8-7-12(19-5-2)9-13(14)15/h7-11,17H,4-6H2,1-3H3
InChIKeyFWYNHEKKQXGUAE-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.19
Rot. Bonds6

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

1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one (PubChem CID 80642881) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one
PubChem CID80642881
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1c[nH]c2ccc(OCC)cc12
InChIInChI=1S/C16H21NO2/c1-4-6-11(3)16(18)14-10-17-15-8-7-12(19-5-2)9-13(14)15/h7-11,17H,4-6H2,1-3H3
InChIKeyFWYNHEKKQXGUAE-UHFFFAOYSA-N
XLogP4.19
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethoxy-1H-indol-3-yl)heptan-1-one
CID 114752203
1-(5-ethoxy-1H-indol-3-yl)-3,4,4-trimethylpentan-1-one
CID 80649085
6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473151
3-(5-ethoxy-1H-indol-3-yl)butanoic acid
CID 82277509
(5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone
CID 80643738
3-bromo-4-oxo-4-(5-propoxy-1H-indol-3-yl)butanoic acid
CID 80649238
(5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 80649082
2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one
CID 43162108
5-ethoxy-3-methyl-1H-indole
CID 82490542
(5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 80643241
(5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone
CID 106683863
3-benzoyl-6-ethoxy-1H-quinolin-4-one
CID 4605296

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one?
The IUPAC name of 1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one (CID 80642881) is 1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one?
The canonical SMILES for 1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one is CCCC(C)C(=O)c1c[nH]c2ccc(OCC)cc12.
What is the InChIKey of 1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one?
The InChIKey is FWYNHEKKQXGUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-6-11(3)16(18)14-10-17-15-8-7-12(19-5-2)9-13(14)15/h7-11,17H,4-6H2,1-3H3.
What are the key properties of 1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one?
1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one has a molecular weight of 259.35 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one is sourced from PubChem (CID 80642881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).