2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide

C11H14N3O2P — CID 102301475

IUPAC2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide
SMILESCOC1CCP(=O)(c2ccccc2)C1N=[N+]=[N-]
InChIInChI=1S/C11H14N3O2P/c1-16-10-7-8-17(15,11(10)13-14-12)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
InChIKeyGACQIARBVOSMJM-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.73
Rot. Bonds3

About 2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide

2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide (PubChem CID 102301475) has the molecular formula C11H14N3O2P and a molecular weight of 251.23 g/mol. Its IUPAC name is 2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide.

Molecular Properties

Compound Name2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide
PubChem CID102301475
Molecular FormulaC11H14N3O2P
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide
SMILESCOC1CCP(=O)(c2ccccc2)C1N=[N+]=[N-]
InChIInChI=1S/C11H14N3O2P/c1-16-10-7-8-17(15,11(10)13-14-12)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
InChIKeyGACQIARBVOSMJM-UHFFFAOYSA-N
XLogP2.73
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide 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 2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide?
The IUPAC name of 2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide (CID 102301475) is 2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide.
What is the SMILES notation for 2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide?
The canonical SMILES for 2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide is COC1CCP(=O)(c2ccccc2)C1N=[N+]=[N-].
What is the InChIKey of 2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide?
The InChIKey is GACQIARBVOSMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N3O2P/c1-16-10-7-8-17(15,11(10)13-14-12)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3.
What are the key properties of 2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide?
2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide has a molecular weight of 251.23 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide is sourced from PubChem (CID 102301475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).