methyl 4-methyl-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate

C12H19NO2 — CID 16744844

IUPACmethyl 4-methyl-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate
SMILESCOC(=O)C1=CCC2CCCCN2C1C
InChIInChI=1S/C12H19NO2/c1-9-11(12(14)15-2)7-6-10-5-3-4-8-13(9)10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyQJMPCSRXMIGDII-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds1

About methyl 4-methyl-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate

methyl 4-methyl-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate (PubChem CID 16744844) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is methyl 4-methyl-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate
PubChem CID16744844
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namemethyl 4-methyl-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate
SMILESCOC(=O)C1=CCC2CCCCN2C1C
InChIInChI=1S/C12H19NO2/c1-9-11(12(14)15-2)7-6-10-5-3-4-8-13(9)10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyQJMPCSRXMIGDII-UHFFFAOYSA-N
XLogP1.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate?
The IUPAC name of methyl 4-methyl-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate (CID 16744844) is methyl 4-methyl-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate?
The canonical SMILES for methyl 4-methyl-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate is COC(=O)C1=CCC2CCCCN2C1C.
What is the InChIKey of methyl 4-methyl-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate?
The InChIKey is QJMPCSRXMIGDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-11(12(14)15-2)7-6-10-5-3-4-8-13(9)10/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of methyl 4-methyl-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate?
methyl 4-methyl-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate is sourced from PubChem (CID 16744844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).