ethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride

C11H14Cl5NO2Sn — CID 70480202

IUPACethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride
SMILESCCOC(=O)C1Cc2ccccc2N1.Cl.Cl[Sn](Cl)(Cl)Cl
InChIInChI=1S/C11H13NO2.5ClH.Sn/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10;;;;;;/h3-6,10,12H,2,7H2,1H3;5*1H;/q;;;;;;+4/p-4
InChIKeyZOKDPMZCYIZXIM-UHFFFAOYSA-J
MW488.21 g/mol
LogP4.39
Rot. Bonds2

About ethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride

ethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride (PubChem CID 70480202) has the molecular formula C11H14Cl5NO2Sn and a molecular weight of 488.21 g/mol. Its IUPAC name is ethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride.

Molecular Properties

Compound Nameethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride
PubChem CID70480202
Molecular FormulaC11H14Cl5NO2Sn
Molecular Weight488.21 g/mol
Exact Mass486.85
IUPAC Nameethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride
SMILESCCOC(=O)C1Cc2ccccc2N1.Cl.Cl[Sn](Cl)(Cl)Cl
InChIInChI=1S/C11H13NO2.5ClH.Sn/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10;;;;;;/h3-6,10,12H,2,7H2,1H3;5*1H;/q;;;;;;+4/p-4
InChIKeyZOKDPMZCYIZXIM-UHFFFAOYSA-J
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.21
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride?
The IUPAC name of ethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride (CID 70480202) is ethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride.
What is the SMILES notation for ethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride?
The canonical SMILES for ethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride is CCOC(=O)C1Cc2ccccc2N1.Cl.Cl[Sn](Cl)(Cl)Cl.
What is the InChIKey of ethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride?
The InChIKey is ZOKDPMZCYIZXIM-UHFFFAOYSA-J. The full InChI is InChI=1S/C11H13NO2.5ClH.Sn/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10;;;;;;/h3-6,10,12H,2,7H2,1H3;5*1H;/q;;;;;;+4/p-4.
What are the key properties of ethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride?
ethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride has a molecular weight of 488.21 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride is sourced from PubChem (CID 70480202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).