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

C11H9Cl2NO — CID 23270346

IUPAC(1R,5S,6R,7S)-6,7-dichloro-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene
SMILESCl[C@@H]1[C@H](Cl)[C@H]2C(c3ccccc3)=NO[C@@H]12
InChIInChI=1S/C11H9Cl2NO/c12-8-7-10(6-4-2-1-3-5-6)14-15-11(7)9(8)13/h1-5,7-9,11H/t7-,8+,9+,11+/m0/s1
InChIKeyHRZCZLZUECQOAV-YSSBGUOXSA-N
MW242.11 g/mol
LogP2.63
Rot. Bonds1

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

(1R,5S,6R,7S)-6,7-dichloro-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene (PubChem CID 23270346) has the molecular formula C11H9Cl2NO and a molecular weight of 242.11 g/mol. Its IUPAC name is (1R,5S,6R,7S)-6,7-dichloro-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene.

Molecular Properties

Compound Name(1R,5S,6R,7S)-6,7-dichloro-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene
PubChem CID23270346
Molecular FormulaC11H9Cl2NO
Molecular Weight242.11 g/mol
Exact Mass241.01
IUPAC Name(1R,5S,6R,7S)-6,7-dichloro-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene
SMILESCl[C@@H]1[C@H](Cl)[C@H]2C(c3ccccc3)=NO[C@@H]12
InChIInChI=1S/C11H9Cl2NO/c12-8-7-10(6-4-2-1-3-5-6)14-15-11(7)9(8)13/h1-5,7-9,11H/t7-,8+,9+,11+/m0/s1
InChIKeyHRZCZLZUECQOAV-YSSBGUOXSA-N
XLogP2.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,5S,6R,7S)-6,7-dichloro-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene 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 (1R,5S,6R,7S)-6,7-dichloro-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene?
The IUPAC name of (1R,5S,6R,7S)-6,7-dichloro-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene (CID 23270346) is (1R,5S,6R,7S)-6,7-dichloro-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene.
What is the SMILES notation for (1R,5S,6R,7S)-6,7-dichloro-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene?
The canonical SMILES for (1R,5S,6R,7S)-6,7-dichloro-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene is Cl[C@@H]1[C@H](Cl)[C@H]2C(c3ccccc3)=NO[C@@H]12.
What is the InChIKey of (1R,5S,6R,7S)-6,7-dichloro-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene?
The InChIKey is HRZCZLZUECQOAV-YSSBGUOXSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c12-8-7-10(6-4-2-1-3-5-6)14-15-11(7)9(8)13/h1-5,7-9,11H/t7-,8+,9+,11+/m0/s1.
What are the key properties of (1R,5S,6R,7S)-6,7-dichloro-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene?
(1R,5S,6R,7S)-6,7-dichloro-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene has a molecular weight of 242.11 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R,7S)-6,7-dichloro-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene is sourced from PubChem (CID 23270346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).