(1S,9R)-8-oxa-3,5,11-triaza-4-phosphatricyclo[7.3.0.02,6]dodec-2(6)-ene

C7H12N3OP — CID 162738915

IUPAC(1S,9R)-8-oxa-3,5,11-triaza-4-phosphatricyclo[7.3.0.02,6]dodec-2(6)-ene
SMILESC1O[C@H]2CNC[C@H]2C2=C1NPN2
InChIInChI=1S/C7H12N3OP/c1-4-6(2-8-1)11-3-5-7(4)10-12-9-5/h4,6,8-10,12H,1-3H2/t4-,6+/m1/s1
InChIKeyGUKUFKWRMFXMMU-XINAWCOVSA-N
MW185.17 g/mol
LogP-0.48
Rot. Bonds

About (1S,9R)-8-oxa-3,5,11-triaza-4-phosphatricyclo[7.3.0.02,6]dodec-2(6)-ene

(1S,9R)-8-oxa-3,5,11-triaza-4-phosphatricyclo[7.3.0.02,6]dodec-2(6)-ene (PubChem CID 162738915) has the molecular formula C7H12N3OP and a molecular weight of 185.17 g/mol. Its IUPAC name is (1S,9R)-8-oxa-3,5,11-triaza-4-phosphatricyclo[7.3.0.02,6]dodec-2(6)-ene.

Molecular Properties

Compound Name(1S,9R)-8-oxa-3,5,11-triaza-4-phosphatricyclo[7.3.0.02,6]dodec-2(6)-ene
PubChem CID162738915
Molecular FormulaC7H12N3OP
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name(1S,9R)-8-oxa-3,5,11-triaza-4-phosphatricyclo[7.3.0.02,6]dodec-2(6)-ene
SMILESC1O[C@H]2CNC[C@H]2C2=C1NPN2
InChIInChI=1S/C7H12N3OP/c1-4-6(2-8-1)11-3-5-7(4)10-12-9-5/h4,6,8-10,12H,1-3H2/t4-,6+/m1/s1
InChIKeyGUKUFKWRMFXMMU-XINAWCOVSA-N
XLogP-0.48
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,9R)-8-oxa-3,5,11-triaza-4-phosphatricyclo[7.3.0.02,6]dodec-2(6)-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 (1S,9R)-8-oxa-3,5,11-triaza-4-phosphatricyclo[7.3.0.02,6]dodec-2(6)-ene?
The IUPAC name of (1S,9R)-8-oxa-3,5,11-triaza-4-phosphatricyclo[7.3.0.02,6]dodec-2(6)-ene (CID 162738915) is (1S,9R)-8-oxa-3,5,11-triaza-4-phosphatricyclo[7.3.0.02,6]dodec-2(6)-ene.
What is the SMILES notation for (1S,9R)-8-oxa-3,5,11-triaza-4-phosphatricyclo[7.3.0.02,6]dodec-2(6)-ene?
The canonical SMILES for (1S,9R)-8-oxa-3,5,11-triaza-4-phosphatricyclo[7.3.0.02,6]dodec-2(6)-ene is C1O[C@H]2CNC[C@H]2C2=C1NPN2.
What is the InChIKey of (1S,9R)-8-oxa-3,5,11-triaza-4-phosphatricyclo[7.3.0.02,6]dodec-2(6)-ene?
The InChIKey is GUKUFKWRMFXMMU-XINAWCOVSA-N. The full InChI is InChI=1S/C7H12N3OP/c1-4-6(2-8-1)11-3-5-7(4)10-12-9-5/h4,6,8-10,12H,1-3H2/t4-,6+/m1/s1.
What are the key properties of (1S,9R)-8-oxa-3,5,11-triaza-4-phosphatricyclo[7.3.0.02,6]dodec-2(6)-ene?
(1S,9R)-8-oxa-3,5,11-triaza-4-phosphatricyclo[7.3.0.02,6]dodec-2(6)-ene has a molecular weight of 185.17 g/mol, XLogP of -0.48, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R)-8-oxa-3,5,11-triaza-4-phosphatricyclo[7.3.0.02,6]dodec-2(6)-ene is sourced from PubChem (CID 162738915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).