(2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene

C8H7NO — CID 11434972

IUPAC(2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene
SMILESc1cnc2c(c1)[C@@H]1O[C@@H]1C2
InChIInChI=1S/C8H7NO/c1-2-5-6(9-3-1)4-7-8(5)10-7/h1-3,7-8H,4H2/t7-,8+/m1/s1
InChIKeyWYZPIDGMAJDVRC-SFYZADRCSA-N
MW133.15 g/mol
LogP1.08
Rot. Bonds

About (2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene

(2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene (PubChem CID 11434972) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is (2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene.

Molecular Properties

Compound Name(2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene
PubChem CID11434972
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name(2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene
SMILESc1cnc2c(c1)[C@@H]1O[C@@H]1C2
InChIInChI=1S/C8H7NO/c1-2-5-6(9-3-1)4-7-8(5)10-7/h1-3,7-8H,4H2/t7-,8+/m1/s1
InChIKeyWYZPIDGMAJDVRC-SFYZADRCSA-N
XLogP1.08
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene 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 (2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene?
The IUPAC name of (2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene (CID 11434972) is (2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene.
What is the SMILES notation for (2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene?
The canonical SMILES for (2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene is c1cnc2c(c1)[C@@H]1O[C@@H]1C2.
What is the InChIKey of (2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene?
The InChIKey is WYZPIDGMAJDVRC-SFYZADRCSA-N. The full InChI is InChI=1S/C8H7NO/c1-2-5-6(9-3-1)4-7-8(5)10-7/h1-3,7-8H,4H2/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene?
(2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene has a molecular weight of 133.15 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene is sourced from PubChem (CID 11434972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).