methyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride

C10H12ClNO2 — CID 19828511

IUPACmethyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride
SMILESCOC(=O)c1cccc2c1CNC2.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-13-10(12)8-4-2-3-7-5-11-6-9(7)8;/h2-4,11H,5-6H2,1H3;1H
InChIKeyZEOILCADGXBXQW-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.50
Rot. Bonds1

About methyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride

methyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride (PubChem CID 19828511) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is methyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride
PubChem CID19828511
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Namemethyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride
SMILESCOC(=O)c1cccc2c1CNC2.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-13-10(12)8-4-2-3-7-5-11-6-9(7)8;/h2-4,11H,5-6H2,1H3;1H
InChIKeyZEOILCADGXBXQW-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride?
The IUPAC name of methyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride (CID 19828511) is methyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride is COC(=O)c1cccc2c1CNC2.Cl.
What is the InChIKey of methyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride?
The InChIKey is ZEOILCADGXBXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c1-13-10(12)8-4-2-3-7-5-11-6-9(7)8;/h2-4,11H,5-6H2,1H3;1H.
What are the key properties of methyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride?
methyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride is sourced from PubChem (CID 19828511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).