2-methoxy-3-phenyl-2H-azirine

C9H9NO — CID 14088933

IUPAC2-methoxy-3-phenyl-2H-azirine
SMILESCOC1N=C1c1ccccc1
InChIInChI=1S/C9H9NO/c1-11-9-8(10-9)7-5-3-2-4-6-7/h2-6,9H,1H3
InChIKeyVUFXGDQAWKBLPD-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.46
Rot. Bonds2

About 2-methoxy-3-phenyl-2H-azirine

2-methoxy-3-phenyl-2H-azirine (PubChem CID 14088933) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-methoxy-3-phenyl-2H-azirine.

Molecular Properties

Compound Name2-methoxy-3-phenyl-2H-azirine
PubChem CID14088933
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-methoxy-3-phenyl-2H-azirine
SMILESCOC1N=C1c1ccccc1
InChIInChI=1S/C9H9NO/c1-11-9-8(10-9)7-5-3-2-4-6-7/h2-6,9H,1H3
InChIKeyVUFXGDQAWKBLPD-UHFFFAOYSA-N
XLogP1.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-3-phenyl-2H-azirine 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-methoxy-3-phenyl-2H-azirine?
The IUPAC name of 2-methoxy-3-phenyl-2H-azirine (CID 14088933) is 2-methoxy-3-phenyl-2H-azirine.
What is the SMILES notation for 2-methoxy-3-phenyl-2H-azirine?
The canonical SMILES for 2-methoxy-3-phenyl-2H-azirine is COC1N=C1c1ccccc1.
What is the InChIKey of 2-methoxy-3-phenyl-2H-azirine?
The InChIKey is VUFXGDQAWKBLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-11-9-8(10-9)7-5-3-2-4-6-7/h2-6,9H,1H3.
What are the key properties of 2-methoxy-3-phenyl-2H-azirine?
2-methoxy-3-phenyl-2H-azirine has a molecular weight of 147.18 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-phenyl-2H-azirine is sourced from PubChem (CID 14088933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).