3-(5-ethoxyindol-1-yl)propanal

C13H15NO2 — CID 80643533

IUPAC3-(5-ethoxyindol-1-yl)propanal
SMILESCCOc1ccc2c(ccn2CCC=O)c1
InChIInChI=1S/C13H15NO2/c1-2-16-12-4-5-13-11(10-12)6-8-14(13)7-3-9-15/h4-6,8-10H,2-3,7H2,1H3
InChIKeyJUPAVOXUSFATJH-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.63
Rot. Bonds5

About 3-(5-ethoxyindol-1-yl)propanal

3-(5-ethoxyindol-1-yl)propanal (PubChem CID 80643533) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(5-ethoxyindol-1-yl)propanal.

Molecular Properties

Compound Name3-(5-ethoxyindol-1-yl)propanal
PubChem CID80643533
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-(5-ethoxyindol-1-yl)propanal
SMILESCCOc1ccc2c(ccn2CCC=O)c1
InChIInChI=1S/C13H15NO2/c1-2-16-12-4-5-13-11(10-12)6-8-14(13)7-3-9-15/h4-6,8-10H,2-3,7H2,1H3
InChIKeyJUPAVOXUSFATJH-UHFFFAOYSA-N
XLogP2.63
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-1-(3-methylbutyl)indole
CID 110830943
5-ethoxy-1-(3-ethylsulfonylpropyl)indole
CID 116623921
4-(5-ethoxyindol-1-yl)butan-2-ol
CID 116624097
1-(2-tert-butylsulfonylethyl)-5-ethoxyindole
CID 106731679
4-(5-ethoxyindol-1-yl)butanenitrile
CID 110830965
1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole
CID 110830948
N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine
CID 80643034
(Z)-4-(5-ethoxyindol-1-yl)-2-methylbut-2-enoic acid
CID 80643016
4-[3-(5-ethoxyindol-1-yl)propoxy]benzoic acid
CID 110830964
(Z)-4-(5-ethoxyindol-1-yl)-2-ethylbut-2-enoic acid
CID 80643451
ethyl 4-(5-ethoxyindol-1-yl)-3-oxobutanoate
CID 80649255
1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one
CID 80643029

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxyindol-1-yl)propanal?
The IUPAC name of 3-(5-ethoxyindol-1-yl)propanal (CID 80643533) is 3-(5-ethoxyindol-1-yl)propanal.
What is the SMILES notation for 3-(5-ethoxyindol-1-yl)propanal?
The canonical SMILES for 3-(5-ethoxyindol-1-yl)propanal is CCOc1ccc2c(ccn2CCC=O)c1.
What is the InChIKey of 3-(5-ethoxyindol-1-yl)propanal?
The InChIKey is JUPAVOXUSFATJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-16-12-4-5-13-11(10-12)6-8-14(13)7-3-9-15/h4-6,8-10H,2-3,7H2,1H3.
What are the key properties of 3-(5-ethoxyindol-1-yl)propanal?
3-(5-ethoxyindol-1-yl)propanal has a molecular weight of 217.27 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxyindol-1-yl)propanal is sourced from PubChem (CID 80643533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).