methyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride

C12H14ClNO2 — CID 91798750

IUPACmethyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride
SMILESCOC(=O)C12CC1c1ccccc1CN2.Cl
InChIInChI=1S/C12H13NO2.ClH/c1-15-11(14)12-6-10(12)9-5-3-2-4-8(9)7-13-12;/h2-5,10,13H,6-7H2,1H3;1H
InChIKeyYYZPSUHNAVMCOB-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.61
Rot. Bonds1

About methyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride

methyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride (PubChem CID 91798750) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is methyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride
PubChem CID91798750
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Namemethyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride
SMILESCOC(=O)C12CC1c1ccccc1CN2.Cl
InChIInChI=1S/C12H13NO2.ClH/c1-15-11(14)12-6-10(12)9-5-3-2-4-8(9)7-13-12;/h2-5,10,13H,6-7H2,1H3;1H
InChIKeyYYZPSUHNAVMCOB-UHFFFAOYSA-N
XLogP1.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride?
The IUPAC name of methyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride (CID 91798750) is methyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride?
The canonical SMILES for methyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride is COC(=O)C12CC1c1ccccc1CN2.Cl.
What is the InChIKey of methyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride?
The InChIKey is YYZPSUHNAVMCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2.ClH/c1-15-11(14)12-6-10(12)9-5-3-2-4-8(9)7-13-12;/h2-5,10,13H,6-7H2,1H3;1H.
What are the key properties of methyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride?
methyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride has a molecular weight of 239.70 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride is sourced from PubChem (CID 91798750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).