5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde

C15H19NO2 — CID 99991192

IUPAC5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde
SMILESCCCn1c(C)c(C=O)c2cc(OCC)ccc21
InChIInChI=1S/C15H19NO2/c1-4-8-16-11(3)14(10-17)13-9-12(18-5-2)6-7-15(13)16/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyGWYWISPIDPTNRL-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.57
Rot. Bonds5

About 5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde

5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde (PubChem CID 99991192) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde.

Molecular Properties

Compound Name5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde
PubChem CID99991192
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde
SMILESCCCn1c(C)c(C=O)c2cc(OCC)ccc21
InChIInChI=1S/C15H19NO2/c1-4-8-16-11(3)14(10-17)13-9-12(18-5-2)6-7-15(13)16/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyGWYWISPIDPTNRL-UHFFFAOYSA-N
XLogP3.57
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.57
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

2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde
CID 99991388
2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde
CID 82268916
1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde
CID 99991385
1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde
CID 58004720
2-methyl-1-(2-methylpropyl)-5-phenylmethoxyindole-3-carbaldehyde
CID 99991379
1-butyl-3-formyl-2-methylindole-5-carboxylic acid
CID 83947383
(E)-3-(5-ethoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid
CID 82500275
1-ethyl-5-hydroxy-2-methylindole-3-carbaldehyde
CID 99991157
7-ethoxy-2,4-dipropylthieno[2,3-b]indole
CID 23210590
1-(4-ethoxyphenyl)-2,5-dimethylpyrrole-3,4-dicarbaldehyde
CID 21205912
(E)-3-(2-chloro-5-ethoxy-1-ethylindol-3-yl)prop-2-enoic acid
CID 82268930
6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde
CID 12594754

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde?
The IUPAC name of 5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde (CID 99991192) is 5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde.
What is the SMILES notation for 5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde?
The canonical SMILES for 5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde is CCCn1c(C)c(C=O)c2cc(OCC)ccc21.
What is the InChIKey of 5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde?
The InChIKey is GWYWISPIDPTNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-8-16-11(3)14(10-17)13-9-12(18-5-2)6-7-15(13)16/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde?
5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde has a molecular weight of 245.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde is sourced from PubChem (CID 99991192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).