1-(5-ethoxy-1H-indol-3-yl)heptan-1-one

C17H23NO2 — CID 114752203

IUPAC1-(5-ethoxy-1H-indol-3-yl)heptan-1-one
SMILESCCCCCCC(=O)c1c[nH]c2ccc(OCC)cc12
InChIInChI=1S/C17H23NO2/c1-3-5-6-7-8-17(19)15-12-18-16-10-9-13(20-4-2)11-14(15)16/h9-12,18H,3-8H2,1-2H3
InChIKeyFDLMLWCTMUSJPZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.72
Rot. Bonds8

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

1-(5-ethoxy-1H-indol-3-yl)heptan-1-one (PubChem CID 114752203) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(5-ethoxy-1H-indol-3-yl)heptan-1-one.

Molecular Properties

Compound Name1-(5-ethoxy-1H-indol-3-yl)heptan-1-one
PubChem CID114752203
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(5-ethoxy-1H-indol-3-yl)heptan-1-one
SMILESCCCCCCC(=O)c1c[nH]c2ccc(OCC)cc12
InChIInChI=1S/C17H23NO2/c1-3-5-6-7-8-17(19)15-12-18-16-10-9-13(20-4-2)11-14(15)16/h9-12,18H,3-8H2,1-2H3
InChIKeyFDLMLWCTMUSJPZ-UHFFFAOYSA-N
XLogP4.72
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-methoxy-1H-indol-3-yl)nonan-1-one
CID 65448551
1-(5-chloro-1H-indol-3-yl)octan-1-one
CID 63878518
4-oxo-4-(5-propoxy-1H-indol-3-yl)butanoic acid
CID 80643674
4-chloro-1-(5-methoxy-1H-indol-3-yl)butan-1-one
CID 21469454
1-(5-ethoxy-1H-indol-3-yl)-3,4,4-trimethylpentan-1-one
CID 80649085
N-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide
CID 142044574
1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one
CID 80642881
1-(5-ethoxy-1-benzothiophen-3-yl)icosan-1-one
CID 159184675
3,3-dimethyl-1-(5-propoxy-1H-indol-3-yl)butan-1-one
CID 80642952
(5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone
CID 80643738
1-(6-chloro-1H-indol-3-yl)heptan-1-one
CID 114752147
1-(6-chloro-1H-indol-3-yl)octan-1-one
CID 43341995

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-1H-indol-3-yl)heptan-1-one?
The IUPAC name of 1-(5-ethoxy-1H-indol-3-yl)heptan-1-one (CID 114752203) is 1-(5-ethoxy-1H-indol-3-yl)heptan-1-one.
What is the SMILES notation for 1-(5-ethoxy-1H-indol-3-yl)heptan-1-one?
The canonical SMILES for 1-(5-ethoxy-1H-indol-3-yl)heptan-1-one is CCCCCCC(=O)c1c[nH]c2ccc(OCC)cc12.
What is the InChIKey of 1-(5-ethoxy-1H-indol-3-yl)heptan-1-one?
The InChIKey is FDLMLWCTMUSJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-5-6-7-8-17(19)15-12-18-16-10-9-13(20-4-2)11-14(15)16/h9-12,18H,3-8H2,1-2H3.
What are the key properties of 1-(5-ethoxy-1H-indol-3-yl)heptan-1-one?
1-(5-ethoxy-1H-indol-3-yl)heptan-1-one has a molecular weight of 273.38 g/mol, XLogP of 4.72, 8 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)heptan-1-one is sourced from PubChem (CID 114752203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).