methyl 1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate

C11H15NO3 — CID 68731784

IUPACmethyl 1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
SMILESCOC(=O)N1C2(C)C=CC1(C)CC(=O)C2
InChIInChI=1S/C11H15NO3/c1-10-4-5-11(2,7-8(13)6-10)12(10)9(14)15-3/h4-5H,6-7H2,1-3H3
InChIKeyWCHNKWDOYKWYPN-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.50
Rot. Bonds

About methyl 1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate

methyl 1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate (PubChem CID 68731784) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl 1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate.

Molecular Properties

Compound Namemethyl 1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
PubChem CID68731784
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl 1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
SMILESCOC(=O)N1C2(C)C=CC1(C)CC(=O)C2
InChIInChI=1S/C11H15NO3/c1-10-4-5-11(2,7-8(13)6-10)12(10)9(14)15-3/h4-5H,6-7H2,1-3H3
InChIKeyWCHNKWDOYKWYPN-UHFFFAOYSA-N
XLogP1.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate?
The IUPAC name of methyl 1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate (CID 68731784) is methyl 1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate.
What is the SMILES notation for methyl 1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate?
The canonical SMILES for methyl 1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate is COC(=O)N1C2(C)C=CC1(C)CC(=O)C2.
What is the InChIKey of methyl 1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate?
The InChIKey is WCHNKWDOYKWYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-10-4-5-11(2,7-8(13)6-10)12(10)9(14)15-3/h4-5H,6-7H2,1-3H3.
What are the key properties of methyl 1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate?
methyl 1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate is sourced from PubChem (CID 68731784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).