ethyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-carboxylate;hydrochloride

C14H18ClNO2 — CID 134691907

IUPACethyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc2c(c1)C1(CC1)CNC2.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-2-17-13(16)10-3-4-11-8-15-9-14(5-6-14)12(11)7-10;/h3-4,7,15H,2,5-6,8-9H2,1H3;1H
InChIKeyGPFXXQLUNBDHAD-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.42
Rot. Bonds2

About ethyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-carboxylate;hydrochloride

ethyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-carboxylate;hydrochloride (PubChem CID 134691907) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is ethyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-carboxylate;hydrochloride
PubChem CID134691907
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Nameethyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc2c(c1)C1(CC1)CNC2.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-2-17-13(16)10-3-4-11-8-15-9-14(5-6-14)12(11)7-10;/h3-4,7,15H,2,5-6,8-9H2,1H3;1H
InChIKeyGPFXXQLUNBDHAD-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 162434944
triethyl 1,3-dihydroindene-2,2,5-tricarboxylate
CID 10359519
ethyl 3-(1-methylcyclopropyl)benzoate
CID 163599215
ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386072
ethyl 3-amino-4-(1-aminocyclohexyl)benzoate
CID 22669240
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386054
ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 66825919
(4-ethoxycarbonylphenyl)-λ2-stannane
CID 173440121

Frequently Asked Questions

What is the IUPAC name of ethyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-carboxylate;hydrochloride?
The IUPAC name of ethyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-carboxylate;hydrochloride (CID 134691907) is ethyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-carboxylate;hydrochloride.
What is the SMILES notation for ethyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-carboxylate;hydrochloride?
The canonical SMILES for ethyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-carboxylate;hydrochloride is CCOC(=O)c1ccc2c(c1)C1(CC1)CNC2.Cl.
What is the InChIKey of ethyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-carboxylate;hydrochloride?
The InChIKey is GPFXXQLUNBDHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.ClH/c1-2-17-13(16)10-3-4-11-8-15-9-14(5-6-14)12(11)7-10;/h3-4,7,15H,2,5-6,8-9H2,1H3;1H.
What are the key properties of ethyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-carboxylate;hydrochloride?
ethyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-carboxylate;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-carboxylate;hydrochloride is sourced from PubChem (CID 134691907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).