methyl 2,3-dihydro-1H-isoindole-5-carboxylate;hydrochloride

C10H12ClNO2 — CID 19828495

IUPACmethyl 2,3-dihydro-1H-isoindole-5-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)CNC2.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-13-10(12)7-2-3-8-5-11-6-9(8)4-7;/h2-4,11H,5-6H2,1H3;1H
InChIKeyUCJNRYHJEDJKAI-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.50
Rot. Bonds1

About methyl 2,3-dihydro-1H-isoindole-5-carboxylate;hydrochloride

methyl 2,3-dihydro-1H-isoindole-5-carboxylate;hydrochloride (PubChem CID 19828495) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is methyl 2,3-dihydro-1H-isoindole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2,3-dihydro-1H-isoindole-5-carboxylate;hydrochloride
PubChem CID19828495
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Namemethyl 2,3-dihydro-1H-isoindole-5-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)CNC2.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-13-10(12)7-2-3-8-5-11-6-9(8)4-7;/h2-4,11H,5-6H2,1H3;1H
InChIKeyUCJNRYHJEDJKAI-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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Related Compounds

Methyl 2,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoate
CID 464169
Methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920
Methyl 1,3-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate
CID 728700
Methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate hydrochloride
CID 44607839
Methyl 3-oxoisoindoline-4-carboxylate
CID 44579993
1-Oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
CID 12850266
2-acetyl-2,3-dihydro-1H-isoindole-5-carboxylic acid
CID 19381639
methyl 2,3-dihydro-1H-isoindole-4-carboxylate hydrochloride
CID 19828511
3-oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
CID 21955476
Methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate
CID 29947277
Methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate hydrochloride
CID 42614607
Methyl 4-((methylamino)methyl)benzoate hydrochloride
CID 43810593

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydro-1H-isoindole-5-carboxylate;hydrochloride?
The IUPAC name of methyl 2,3-dihydro-1H-isoindole-5-carboxylate;hydrochloride (CID 19828495) is methyl 2,3-dihydro-1H-isoindole-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2,3-dihydro-1H-isoindole-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 2,3-dihydro-1H-isoindole-5-carboxylate;hydrochloride is COC(=O)c1ccc2c(c1)CNC2.Cl.
What is the InChIKey of methyl 2,3-dihydro-1H-isoindole-5-carboxylate;hydrochloride?
The InChIKey is UCJNRYHJEDJKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c1-13-10(12)7-2-3-8-5-11-6-9(8)4-7;/h2-4,11H,5-6H2,1H3;1H.
What are the key properties of methyl 2,3-dihydro-1H-isoindole-5-carboxylate;hydrochloride?
methyl 2,3-dihydro-1H-isoindole-5-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-5-carboxylate;hydrochloride is sourced from PubChem (CID 19828495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).