ethyl 1,2,3,6-tetrahydropyridin-5-yl carbonate;hydrochloride

C8H14ClNO3 — CID 70459683

IUPACethyl 1,2,3,6-tetrahydropyridin-5-yl carbonate;hydrochloride
SMILESCCOC(=O)OC1=CCCNC1.Cl
InChIInChI=1S/C8H13NO3.ClH/c1-2-11-8(10)12-7-4-3-5-9-6-7;/h4,9H,2-3,5-6H2,1H3;1H
InChIKeyPIRLYHROTAHNJI-UHFFFAOYSA-N
MW207.66 g/mol
LogP1.46
Rot. Bonds2

About ethyl 1,2,3,6-tetrahydropyridin-5-yl carbonate;hydrochloride

ethyl 1,2,3,6-tetrahydropyridin-5-yl carbonate;hydrochloride (PubChem CID 70459683) has the molecular formula C8H14ClNO3 and a molecular weight of 207.66 g/mol. Its IUPAC name is ethyl 1,2,3,6-tetrahydropyridin-5-yl carbonate;hydrochloride.

Molecular Properties

Compound Nameethyl 1,2,3,6-tetrahydropyridin-5-yl carbonate;hydrochloride
PubChem CID70459683
Molecular FormulaC8H14ClNO3
Molecular Weight207.66 g/mol
Exact Mass207.07
IUPAC Nameethyl 1,2,3,6-tetrahydropyridin-5-yl carbonate;hydrochloride
SMILESCCOC(=O)OC1=CCCNC1.Cl
InChIInChI=1S/C8H13NO3.ClH/c1-2-11-8(10)12-7-4-3-5-9-6-7;/h4,9H,2-3,5-6H2,1H3;1H
InChIKeyPIRLYHROTAHNJI-UHFFFAOYSA-N
XLogP1.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,3,6-tetrahydropyridin-5-yl carbonate;hydrochloride?
The IUPAC name of ethyl 1,2,3,6-tetrahydropyridin-5-yl carbonate;hydrochloride (CID 70459683) is ethyl 1,2,3,6-tetrahydropyridin-5-yl carbonate;hydrochloride.
What is the SMILES notation for ethyl 1,2,3,6-tetrahydropyridin-5-yl carbonate;hydrochloride?
The canonical SMILES for ethyl 1,2,3,6-tetrahydropyridin-5-yl carbonate;hydrochloride is CCOC(=O)OC1=CCCNC1.Cl.
What is the InChIKey of ethyl 1,2,3,6-tetrahydropyridin-5-yl carbonate;hydrochloride?
The InChIKey is PIRLYHROTAHNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.ClH/c1-2-11-8(10)12-7-4-3-5-9-6-7;/h4,9H,2-3,5-6H2,1H3;1H.
What are the key properties of ethyl 1,2,3,6-tetrahydropyridin-5-yl carbonate;hydrochloride?
ethyl 1,2,3,6-tetrahydropyridin-5-yl carbonate;hydrochloride has a molecular weight of 207.66 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,3,6-tetrahydropyridin-5-yl carbonate;hydrochloride is sourced from PubChem (CID 70459683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).