methyl 3-hydroxy-10-methyl-10-azabicyclo[4.3.1]dec-2-ene-2-carboxylate

C12H19NO3 — CID 54735288

IUPACmethyl 3-hydroxy-10-methyl-10-azabicyclo[4.3.1]dec-2-ene-2-carboxylate
SMILESCOC(=O)C1=C(O)CCC2CCCC1N2C
InChIInChI=1S/C12H19NO3/c1-13-8-4-3-5-9(13)11(12(15)16-2)10(14)7-6-8/h8-9,14H,3-7H2,1-2H3
InChIKeyALHUFZUCJZLVOX-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.62
Rot. Bonds1

About methyl 3-hydroxy-10-methyl-10-azabicyclo[4.3.1]dec-2-ene-2-carboxylate

methyl 3-hydroxy-10-methyl-10-azabicyclo[4.3.1]dec-2-ene-2-carboxylate (PubChem CID 54735288) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl 3-hydroxy-10-methyl-10-azabicyclo[4.3.1]dec-2-ene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-10-methyl-10-azabicyclo[4.3.1]dec-2-ene-2-carboxylate
PubChem CID54735288
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Namemethyl 3-hydroxy-10-methyl-10-azabicyclo[4.3.1]dec-2-ene-2-carboxylate
SMILESCOC(=O)C1=C(O)CCC2CCCC1N2C
InChIInChI=1S/C12H19NO3/c1-13-8-4-3-5-9(13)11(12(15)16-2)10(14)7-6-8/h8-9,14H,3-7H2,1-2H3
InChIKeyALHUFZUCJZLVOX-UHFFFAOYSA-N
XLogP1.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-10-methyl-10-azabicyclo[4.3.1]dec-2-ene-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-10-methyl-10-azabicyclo[4.3.1]dec-2-ene-2-carboxylate (CID 54735288) is methyl 3-hydroxy-10-methyl-10-azabicyclo[4.3.1]dec-2-ene-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-10-methyl-10-azabicyclo[4.3.1]dec-2-ene-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-10-methyl-10-azabicyclo[4.3.1]dec-2-ene-2-carboxylate is COC(=O)C1=C(O)CCC2CCCC1N2C.
What is the InChIKey of methyl 3-hydroxy-10-methyl-10-azabicyclo[4.3.1]dec-2-ene-2-carboxylate?
The InChIKey is ALHUFZUCJZLVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-13-8-4-3-5-9(13)11(12(15)16-2)10(14)7-6-8/h8-9,14H,3-7H2,1-2H3.
What are the key properties of methyl 3-hydroxy-10-methyl-10-azabicyclo[4.3.1]dec-2-ene-2-carboxylate?
methyl 3-hydroxy-10-methyl-10-azabicyclo[4.3.1]dec-2-ene-2-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-10-methyl-10-azabicyclo[4.3.1]dec-2-ene-2-carboxylate is sourced from PubChem (CID 54735288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).