methyl (8R)-8-methyl-5,6,7,8-tetrahydroquinoline-2-carboxylate

C12H15NO2 — CID 159476275

IUPACmethyl (8R)-8-methyl-5,6,7,8-tetrahydroquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2c(n1)[C@H](C)CCC2
InChIInChI=1S/C12H15NO2/c1-8-4-3-5-9-6-7-10(12(14)15-2)13-11(8)9/h6-8H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyWLNDMIGHQHWCRM-MRVPVSSYSA-N
MW205.26 g/mol
LogP2.31
Rot. Bonds1

About methyl (8R)-8-methyl-5,6,7,8-tetrahydroquinoline-2-carboxylate

methyl (8R)-8-methyl-5,6,7,8-tetrahydroquinoline-2-carboxylate (PubChem CID 159476275) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl (8R)-8-methyl-5,6,7,8-tetrahydroquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl (8R)-8-methyl-5,6,7,8-tetrahydroquinoline-2-carboxylate
PubChem CID159476275
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl (8R)-8-methyl-5,6,7,8-tetrahydroquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2c(n1)[C@H](C)CCC2
InChIInChI=1S/C12H15NO2/c1-8-4-3-5-9-6-7-10(12(14)15-2)13-11(8)9/h6-8H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyWLNDMIGHQHWCRM-MRVPVSSYSA-N
XLogP2.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (8R)-8-methyl-5,6,7,8-tetrahydroquinoline-2-carboxylate?
The IUPAC name of methyl (8R)-8-methyl-5,6,7,8-tetrahydroquinoline-2-carboxylate (CID 159476275) is methyl (8R)-8-methyl-5,6,7,8-tetrahydroquinoline-2-carboxylate.
What is the SMILES notation for methyl (8R)-8-methyl-5,6,7,8-tetrahydroquinoline-2-carboxylate?
The canonical SMILES for methyl (8R)-8-methyl-5,6,7,8-tetrahydroquinoline-2-carboxylate is COC(=O)c1ccc2c(n1)[C@H](C)CCC2.
What is the InChIKey of methyl (8R)-8-methyl-5,6,7,8-tetrahydroquinoline-2-carboxylate?
The InChIKey is WLNDMIGHQHWCRM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-4-3-5-9-6-7-10(12(14)15-2)13-11(8)9/h6-8H,3-5H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (8R)-8-methyl-5,6,7,8-tetrahydroquinoline-2-carboxylate?
methyl (8R)-8-methyl-5,6,7,8-tetrahydroquinoline-2-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (8R)-8-methyl-5,6,7,8-tetrahydroquinoline-2-carboxylate is sourced from PubChem (CID 159476275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).