ethyl 10-(1H-indol-3-yl)-7-oxodecanoate

C20H27NO3 — CID 58248748

IUPACethyl 10-(1H-indol-3-yl)-7-oxodecanoate
SMILESCCOC(=O)CCCCCC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H27NO3/c1-2-24-20(23)14-5-3-4-10-17(22)11-8-9-16-15-21-19-13-7-6-12-18(16)19/h6-7,12-13,15,21H,2-5,8-11,14H2,1H3
InChIKeyDLVKRIPSLXODIO-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.57
Rot. Bonds11

About ethyl 10-(1H-indol-3-yl)-7-oxodecanoate

ethyl 10-(1H-indol-3-yl)-7-oxodecanoate (PubChem CID 58248748) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is ethyl 10-(1H-indol-3-yl)-7-oxodecanoate.

Molecular Properties

Compound Nameethyl 10-(1H-indol-3-yl)-7-oxodecanoate
PubChem CID58248748
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Nameethyl 10-(1H-indol-3-yl)-7-oxodecanoate
SMILESCCOC(=O)CCCCCC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H27NO3/c1-2-24-20(23)14-5-3-4-10-17(22)11-8-9-16-15-21-19-13-7-6-12-18(16)19/h6-7,12-13,15,21H,2-5,8-11,14H2,1H3
InChIKeyDLVKRIPSLXODIO-UHFFFAOYSA-N
XLogP4.57
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576
6-(1H-indol-3-yl)hexan-3-one
CID 58575746
ethyl 4-(5-chloro-1H-indol-3-yl)butanoate
CID 18175108
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790
4-(1H-indol-3-yl)butanamide
CID 588715
ethyl 4-[[N-[2-(1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]butanoate
CID 110996155
ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate
CID 7662484
ethyl 4-(5-ethoxycarbonyloxy-1H-indol-3-yl)butanoate
CID 158377062
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2495066
ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate
CID 35512444
1-(1H-indol-3-yl)hexan-3-one
CID 166814803

Frequently Asked Questions

What is the IUPAC name of ethyl 10-(1H-indol-3-yl)-7-oxodecanoate?
The IUPAC name of ethyl 10-(1H-indol-3-yl)-7-oxodecanoate (CID 58248748) is ethyl 10-(1H-indol-3-yl)-7-oxodecanoate.
What is the SMILES notation for ethyl 10-(1H-indol-3-yl)-7-oxodecanoate?
The canonical SMILES for ethyl 10-(1H-indol-3-yl)-7-oxodecanoate is CCOC(=O)CCCCCC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of ethyl 10-(1H-indol-3-yl)-7-oxodecanoate?
The InChIKey is DLVKRIPSLXODIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-2-24-20(23)14-5-3-4-10-17(22)11-8-9-16-15-21-19-13-7-6-12-18(16)19/h6-7,12-13,15,21H,2-5,8-11,14H2,1H3.
What are the key properties of ethyl 10-(1H-indol-3-yl)-7-oxodecanoate?
ethyl 10-(1H-indol-3-yl)-7-oxodecanoate has a molecular weight of 329.44 g/mol, XLogP of 4.57, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-(1H-indol-3-yl)-7-oxodecanoate is sourced from PubChem (CID 58248748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).