2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde

C13H15NO2 — CID 117195026

IUPAC2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde
SMILESCCn1cc(CC=O)c2c(OC)cccc21
InChIInChI=1S/C13H15NO2/c1-3-14-9-10(7-8-15)13-11(14)5-4-6-12(13)16-2/h4-6,8-9H,3,7H2,1-2H3
InChIKeyUDJDSGKRYHPMJE-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.41
Rot. Bonds4

About 2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde

2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde (PubChem CID 117195026) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde
PubChem CID117195026
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde
SMILESCCn1cc(CC=O)c2c(OC)cccc21
InChIInChI=1S/C13H15NO2/c1-3-14-9-10(7-8-15)13-11(14)5-4-6-12(13)16-2/h4-6,8-9H,3,7H2,1-2H3
InChIKeyUDJDSGKRYHPMJE-UHFFFAOYSA-N
XLogP2.41
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.41
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

4-methoxy-1,3-bis(prop-2-enyl)indole
CID 134991931
2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid
CID 115073382
2-(3-methoxy-2-methylphenyl)acetaldehyde
CID 144630578
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
2-(7-chloro-1-ethylindol-3-yl)acetaldehyde
CID 117197652
2-(1,4-dimethylindol-3-yl)acetaldehyde
CID 117194756
2-(3-methoxy-2-phenylphenyl)acetaldehyde
CID 88653150
4-methoxy-1-propylindole-3-sulfonyl chloride
CID 83162428
ethyl [1-ethyl-3-[2-(methylamino)ethyl]indol-4-yl] carbonate
CID 162733967
4-chloro-1-ethylindole-3-carbaldehyde
CID 117119713
2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde
CID 87722000
1,2-dimethoxybenzene;propanal
CID 174258099

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde?
The IUPAC name of 2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde (CID 117195026) is 2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde.
What is the SMILES notation for 2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde?
The canonical SMILES for 2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde is CCn1cc(CC=O)c2c(OC)cccc21.
What is the InChIKey of 2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde?
The InChIKey is UDJDSGKRYHPMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-14-9-10(7-8-15)13-11(14)5-4-6-12(13)16-2/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of 2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde?
2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde has a molecular weight of 217.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde is sourced from PubChem (CID 117195026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).