ethyl 6-(7-formylindol-1-yl)hexanoate

C17H21NO3 — CID 102910186

IUPACethyl 6-(7-formylindol-1-yl)hexanoate
SMILESCCOC(=O)CCCCCn1ccc2cccc(C=O)c21
InChIInChI=1S/C17H21NO3/c1-2-21-16(20)9-4-3-5-11-18-12-10-14-7-6-8-15(13-19)17(14)18/h6-8,10,12-13H,2-5,9,11H2,1H3
InChIKeyHANCNOHZXGQGJE-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.58
Rot. Bonds8

About ethyl 6-(7-formylindol-1-yl)hexanoate

ethyl 6-(7-formylindol-1-yl)hexanoate (PubChem CID 102910186) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 6-(7-formylindol-1-yl)hexanoate.

Molecular Properties

Compound Nameethyl 6-(7-formylindol-1-yl)hexanoate
PubChem CID102910186
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Nameethyl 6-(7-formylindol-1-yl)hexanoate
SMILESCCOC(=O)CCCCCn1ccc2cccc(C=O)c21
InChIInChI=1S/C17H21NO3/c1-2-21-16(20)9-4-3-5-11-18-12-10-14-7-6-8-15(13-19)17(14)18/h6-8,10,12-13H,2-5,9,11H2,1H3
InChIKeyHANCNOHZXGQGJE-UHFFFAOYSA-N
XLogP3.58
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 6-(7-formylindol-1-yl)hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-(7-chloroindol-1-yl)hexanoate
CID 103474240
ethyl 3-(7-ethylindol-1-yl)propanoate
CID 43365480
ethyl 3-(7-nitroindol-1-yl)propanoate
CID 114935544
ethyl 4-pyrrolo[2,3-b]pyridin-1-ylbutanoate
CID 58803600
N-cyclopropyl-3-(7-formylindol-1-yl)propanamide
CID 102909918
1-(2-ethylbutyl)indole-7-carbaldehyde
CID 102910011
1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde
CID 102910127
ethyl 8-[3-(indol-1-ylmethyl)phenyl]-8-oxooctanoate
CID 24724895
N-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide
CID 102910057
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde
CID 102909905
1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid
CID 102911584
1-[2-(azepan-1-yl)-2-oxoethyl]indole-7-carbaldehyde
CID 102910109

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(7-formylindol-1-yl)hexanoate?
The IUPAC name of ethyl 6-(7-formylindol-1-yl)hexanoate (CID 102910186) is ethyl 6-(7-formylindol-1-yl)hexanoate.
What is the SMILES notation for ethyl 6-(7-formylindol-1-yl)hexanoate?
The canonical SMILES for ethyl 6-(7-formylindol-1-yl)hexanoate is CCOC(=O)CCCCCn1ccc2cccc(C=O)c21.
What is the InChIKey of ethyl 6-(7-formylindol-1-yl)hexanoate?
The InChIKey is HANCNOHZXGQGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-21-16(20)9-4-3-5-11-18-12-10-14-7-6-8-15(13-19)17(14)18/h6-8,10,12-13H,2-5,9,11H2,1H3.
What are the key properties of ethyl 6-(7-formylindol-1-yl)hexanoate?
ethyl 6-(7-formylindol-1-yl)hexanoate has a molecular weight of 287.36 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(7-formylindol-1-yl)hexanoate is sourced from PubChem (CID 102910186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).