methyl 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride

C12H16ClNO2 — CID 66663107

IUPACmethyl 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)CCC(N)C2.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10;/h2-3,6,11H,4-5,7,13H2,1H3;1H
InChIKeyIVXUXMLZFMCYIC-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.71
Rot. Bonds1

About methyl 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride

methyl 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride (PubChem CID 66663107) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is methyl 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
PubChem CID66663107
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Namemethyl 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)CCC(N)C2.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10;/h2-3,6,11H,4-5,7,13H2,1H3;1H
InChIKeyIVXUXMLZFMCYIC-UHFFFAOYSA-N
XLogP1.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride (CID 66663107) is methyl 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride is COC(=O)c1ccc2c(c1)CCC(N)C2.Cl.
What is the InChIKey of methyl 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride?
The InChIKey is IVXUXMLZFMCYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10;/h2-3,6,11H,4-5,7,13H2,1H3;1H.
What are the key properties of methyl 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride?
methyl 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride is sourced from PubChem (CID 66663107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).