methyl (1R,5S,7R)-3-benzyl-4-methylidene-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate

C15H15NO5 — CID 10946154

About methyl (1R,5S,7R)-3-benzyl-4-methylidene-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate

methyl (1R,5S,7R)-3-benzyl-4-methylidene-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate (PubChem CID 10946154) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl (1R,5S,7R)-3-benzyl-4-methylidene-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate.

Molecular Properties

• Compound Name: methyl (1R,5S,7R)-3-benzyl-4-methylidene-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
• PubChem CID: 10946154
• Molecular Formula: C15H15NO5
• Molecular Weight: 289.29 g/mol
• Exact Mass: 289.10
• IUPAC Name: methyl (1R,5S,7R)-3-benzyl-4-methylidene-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
• SMILES: C=C1[C@@H]2O[C@@H](C(=O)OC)[C@@H](O2)C(=O)N1Cc1ccccc1
• InChI: InChI=1S/C15H15NO5/c1-9-15-20-11(12(21-15)14(18)19-2)13(17)16(9)8-10-6-4-3-5-7-10/h3-7,11-12,15H,1,8H2,2H3/t11-,12-,15+/m1/s1
• InChIKey: QFNNOVXEIJTIRH-JMSVASOKSA-N
• XLogP: 0.83
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.29
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5S,7R)-3-benzyl-4-methylidene-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate?

The IUPAC name of methyl (1R,5S,7R)-3-benzyl-4-methylidene-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate (CID 10946154) is methyl (1R,5S,7R)-3-benzyl-4-methylidene-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate.

What is the SMILES notation for methyl (1R,5S,7R)-3-benzyl-4-methylidene-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate?

The canonical SMILES for methyl (1R,5S,7R)-3-benzyl-4-methylidene-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate is C=C1[C@@H]2O[C@@H](C(=O)OC)[C@@H](O2)C(=O)N1Cc1ccccc1.

What is the InChIKey of methyl (1R,5S,7R)-3-benzyl-4-methylidene-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate?

The InChIKey is QFNNOVXEIJTIRH-JMSVASOKSA-N. The full InChI is InChI=1S/C15H15NO5/c1-9-15-20-11(12(21-15)14(18)19-2)13(17)16(9)8-10-6-4-3-5-7-10/h3-7,11-12,15H,1,8H2,2H3/t11-,12-,15+/m1/s1.

What are the key properties of methyl (1R,5S,7R)-3-benzyl-4-methylidene-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate?

methyl (1R,5S,7R)-3-benzyl-4-methylidene-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (1R,5S,7R)-3-benzyl-4-methylidene-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate is sourced from PubChem (CID 10946154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).