5-ethoxy-3-propyl-1H-indole;formic acid

C15H21NO5 — CID 142107070

IUPAC5-ethoxy-3-propyl-1H-indole;formic acid
SMILESCCCc1c[nH]c2ccc(OCC)cc12.O=CO.O=CO
InChIInChI=1S/C13H17NO.2CH2O2/c1-3-5-10-9-14-13-7-6-11(15-4-2)8-12(10)13;2*2-1-3/h6-9,14H,3-5H2,1-2H3;2*1H,(H,2,3)
InChIKeyYAWKXTDNOQZRNI-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.92
Rot. Bonds4

About 5-ethoxy-3-propyl-1H-indole;formic acid

5-ethoxy-3-propyl-1H-indole;formic acid (PubChem CID 142107070) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 5-ethoxy-3-propyl-1H-indole;formic acid.

Molecular Properties

Compound Name5-ethoxy-3-propyl-1H-indole;formic acid
PubChem CID142107070
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name5-ethoxy-3-propyl-1H-indole;formic acid
SMILESCCCc1c[nH]c2ccc(OCC)cc12.O=CO.O=CO
InChIInChI=1S/C13H17NO.2CH2O2/c1-3-5-10-9-14-13-7-6-11(15-4-2)8-12(10)13;2*2-1-3/h6-9,14H,3-5H2,1-2H3;2*1H,(H,2,3)
InChIKeyYAWKXTDNOQZRNI-UHFFFAOYSA-N
XLogP2.92
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine
CID 98783922
2-(5-propoxy-1H-indol-3-yl)acetaldehyde
CID 144631653
tris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol
CID 161141076
5-ethoxy-3-methyl-1H-indole
CID 82490542
(2S)-2-amino-3-(5-ethoxy-1H-indol-3-yl)propanoic acid
CID 131887373
3-propyl-1H-indol-5-ol
CID 15366338
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine
CID 75465017
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
CID 15342178
1-(5-ethoxy-1H-indol-3-yl)heptan-1-one
CID 114752203
3-(2-ethoxyethyl)-5-methoxy-1H-indole
CID 167475271

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-propyl-1H-indole;formic acid?
The IUPAC name of 5-ethoxy-3-propyl-1H-indole;formic acid (CID 142107070) is 5-ethoxy-3-propyl-1H-indole;formic acid.
What is the SMILES notation for 5-ethoxy-3-propyl-1H-indole;formic acid?
The canonical SMILES for 5-ethoxy-3-propyl-1H-indole;formic acid is CCCc1c[nH]c2ccc(OCC)cc12.O=CO.O=CO.
What is the InChIKey of 5-ethoxy-3-propyl-1H-indole;formic acid?
The InChIKey is YAWKXTDNOQZRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.2CH2O2/c1-3-5-10-9-14-13-7-6-11(15-4-2)8-12(10)13;2*2-1-3/h6-9,14H,3-5H2,1-2H3;2*1H,(H,2,3).
What are the key properties of 5-ethoxy-3-propyl-1H-indole;formic acid?
5-ethoxy-3-propyl-1H-indole;formic acid has a molecular weight of 295.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-propyl-1H-indole;formic acid is sourced from PubChem (CID 142107070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).