ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride

C14H18ClNO2 — CID 67834075

IUPACethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
SMILESCCOC(=O)CCCc1c[nH]c2ccccc12.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-2-17-14(16)9-5-6-11-10-15-13-8-4-3-7-12(11)13;/h3-4,7-8,10,15H,2,5-6,9H2,1H3;1H
InChIKeyYRWJRQDPBGYZRM-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.48
Rot. Bonds5

About ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride

ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride (PubChem CID 67834075) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
PubChem CID67834075
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Nameethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
SMILESCCOC(=O)CCCc1c[nH]c2ccccc12.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-2-17-14(16)9-5-6-11-10-15-13-8-4-3-7-12(11)13;/h3-4,7-8,10,15H,2,5-6,9H2,1H3;1H
InChIKeyYRWJRQDPBGYZRM-UHFFFAOYSA-N
XLogP3.48
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
CID 58248748
[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 4-(5-chloro-1H-indol-3-yl)butanoate
CID 18175108
ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate
CID 7662484
6-(1H-indol-3-yl)hexan-3-one
CID 58575746
[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
ethyl 5-[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 2423221
pentyl 3-(1H-indol-3-yl)propanoate
CID 70811312
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659140

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride?
The IUPAC name of ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride (CID 67834075) is ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride.
What is the SMILES notation for ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride?
The canonical SMILES for ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride is CCOC(=O)CCCc1c[nH]c2ccccc12.Cl.
What is the InChIKey of ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride?
The InChIKey is YRWJRQDPBGYZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.ClH/c1-2-17-14(16)9-5-6-11-10-15-13-8-4-3-7-12(11)13;/h3-4,7-8,10,15H,2,5-6,9H2,1H3;1H.
What are the key properties of ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride?
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride is sourced from PubChem (CID 67834075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).