3-(5-methoxy-1H-indol-4-yl)propanal

C12H13NO2 — CID 117291568

IUPAC3-(5-methoxy-1H-indol-4-yl)propanal
SMILESCOc1ccc2[nH]ccc2c1CCC=O
InChIInChI=1S/C12H13NO2/c1-15-12-5-4-11-9(6-7-13-11)10(12)3-2-8-14/h4-8,13H,2-3H2,1H3
InChIKeyJNTNYMCPCURYLA-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.31
Rot. Bonds4

About 3-(5-methoxy-1H-indol-4-yl)propanal

3-(5-methoxy-1H-indol-4-yl)propanal (PubChem CID 117291568) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(5-methoxy-1H-indol-4-yl)propanal.

Molecular Properties

Compound Name3-(5-methoxy-1H-indol-4-yl)propanal
PubChem CID117291568
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(5-methoxy-1H-indol-4-yl)propanal
SMILESCOc1ccc2[nH]ccc2c1CCC=O
InChIInChI=1S/C12H13NO2/c1-15-12-5-4-11-9(6-7-13-11)10(12)3-2-8-14/h4-8,13H,2-3H2,1H3
InChIKeyJNTNYMCPCURYLA-UHFFFAOYSA-N
XLogP2.31
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methoxy-1H-indol-4-yl)butanal
CID 117309270
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3-(2,3-dimethoxy-6-methylphenyl)propanal
CID 117297640
3-(6-bromo-2,3-dimethoxyphenyl)propanal
CID 117434965
ethyl formate;4-methoxy-1H-indole
CID 175194292
3-(3,4-dimethoxy-2-methylphenyl)propanal
CID 117297630
3-(2-hydroxy-3-methoxy-6-propan-2-ylphenyl)propanal
CID 117318262
3-(5-methoxy-1H-indol-4-yl)-3-phenylpropanoic acid
CID 141173335
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine
CID 103292073
5-(4-methoxy-2,3-dimethylphenyl)pentanal
CID 98014243
1-N,2-N-bis(5-methoxy-1H-indol-4-yl)cyclopropane-1,2-dicarboxamide
CID 166219582
3-(3,4-dimethoxy-2-methylsulfanylphenyl)propanal
CID 117353644

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1H-indol-4-yl)propanal?
The IUPAC name of 3-(5-methoxy-1H-indol-4-yl)propanal (CID 117291568) is 3-(5-methoxy-1H-indol-4-yl)propanal.
What is the SMILES notation for 3-(5-methoxy-1H-indol-4-yl)propanal?
The canonical SMILES for 3-(5-methoxy-1H-indol-4-yl)propanal is COc1ccc2[nH]ccc2c1CCC=O.
What is the InChIKey of 3-(5-methoxy-1H-indol-4-yl)propanal?
The InChIKey is JNTNYMCPCURYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-15-12-5-4-11-9(6-7-13-11)10(12)3-2-8-14/h4-8,13H,2-3H2,1H3.
What are the key properties of 3-(5-methoxy-1H-indol-4-yl)propanal?
3-(5-methoxy-1H-indol-4-yl)propanal has a molecular weight of 203.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1H-indol-4-yl)propanal is sourced from PubChem (CID 117291568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).