dimethyl (1R,5S,6R,7R)-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate

C15H15NO5 — CID 23270353

IUPACdimethyl (1R,5S,6R,7R)-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate
SMILESCOC(=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2ON=C(c3ccccc3)[C@@H]21
InChIInChI=1S/C15H15NO5/c1-19-14(17)9-10-12(8-6-4-3-5-7-8)16-21-13(10)11(9)15(18)20-2/h3-7,9-11,13H,1-2H3/t9-,10+,11-,13-/m1/s1
InChIKeyQKDQZBZYUSDABP-LSCVPOLPSA-N
MW289.29 g/mol
LogP1.00
Rot. Bonds3

About dimethyl (1R,5S,6R,7R)-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate

dimethyl (1R,5S,6R,7R)-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate (PubChem CID 23270353) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is dimethyl (1R,5S,6R,7R)-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,5S,6R,7R)-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate
PubChem CID23270353
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Namedimethyl (1R,5S,6R,7R)-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate
SMILESCOC(=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2ON=C(c3ccccc3)[C@@H]21
InChIInChI=1S/C15H15NO5/c1-19-14(17)9-10-12(8-6-4-3-5-7-8)16-21-13(10)11(9)15(18)20-2/h3-7,9-11,13H,1-2H3/t9-,10+,11-,13-/m1/s1
InChIKeyQKDQZBZYUSDABP-LSCVPOLPSA-N
XLogP1.00
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl (1R,5S,6R,7R)-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl (1R,5S,6R,7R)-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate?
The IUPAC name of dimethyl (1R,5S,6R,7R)-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate (CID 23270353) is dimethyl (1R,5S,6R,7R)-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate.
What is the SMILES notation for dimethyl (1R,5S,6R,7R)-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate?
The canonical SMILES for dimethyl (1R,5S,6R,7R)-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate is COC(=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2ON=C(c3ccccc3)[C@@H]21.
What is the InChIKey of dimethyl (1R,5S,6R,7R)-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate?
The InChIKey is QKDQZBZYUSDABP-LSCVPOLPSA-N. The full InChI is InChI=1S/C15H15NO5/c1-19-14(17)9-10-12(8-6-4-3-5-7-8)16-21-13(10)11(9)15(18)20-2/h3-7,9-11,13H,1-2H3/t9-,10+,11-,13-/m1/s1.
What are the key properties of dimethyl (1R,5S,6R,7R)-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate?
dimethyl (1R,5S,6R,7R)-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate has a molecular weight of 289.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,5S,6R,7R)-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate is sourced from PubChem (CID 23270353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).