tert-butyl 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-carboxylate

C11H15NO3 — CID 74081935

IUPACtert-butyl 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C2CC=CC21
InChIInChI=1S/C11H15NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7(8)9(12)13/h4,6-8H,5H2,1-3H3
InChIKeyRTTUZWZFZSJVQX-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.71
Rot. Bonds

About tert-butyl 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-carboxylate

tert-butyl 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-carboxylate (PubChem CID 74081935) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is tert-butyl 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-carboxylate
PubChem CID74081935
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nametert-butyl 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C2CC=CC21
InChIInChI=1S/C11H15NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7(8)9(12)13/h4,6-8H,5H2,1-3H3
InChIKeyRTTUZWZFZSJVQX-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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 tert-butyl 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-carboxylate?
The IUPAC name of tert-butyl 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-carboxylate (CID 74081935) is tert-butyl 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-carboxylate.
What is the SMILES notation for tert-butyl 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-carboxylate?
The canonical SMILES for tert-butyl 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-carboxylate is CC(C)(C)OC(=O)N1C(=O)C2CC=CC21.
What is the InChIKey of tert-butyl 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-carboxylate?
The InChIKey is RTTUZWZFZSJVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7(8)9(12)13/h4,6-8H,5H2,1-3H3.
What are the key properties of tert-butyl 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-carboxylate?
tert-butyl 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-carboxylate is sourced from PubChem (CID 74081935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).