2-(furan-2-yl)-3-phenyl-2H-azirine

C12H9NO — CID 138968243

IUPAC2-(furan-2-yl)-3-phenyl-2H-azirine
SMILESc1ccc(C2=NC2c2ccco2)cc1
InChIInChI=1S/C12H9NO/c1-2-5-9(6-3-1)11-12(13-11)10-7-4-8-14-10/h1-8,12H
InChIKeyCBOMKCTYJBUJOB-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.82
Rot. Bonds2

About 2-(furan-2-yl)-3-phenyl-2H-azirine

2-(furan-2-yl)-3-phenyl-2H-azirine (PubChem CID 138968243) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-phenyl-2H-azirine.

Molecular Properties

Compound Name2-(furan-2-yl)-3-phenyl-2H-azirine
PubChem CID138968243
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name2-(furan-2-yl)-3-phenyl-2H-azirine
SMILESc1ccc(C2=NC2c2ccco2)cc1
InChIInChI=1S/C12H9NO/c1-2-5-9(6-3-1)11-12(13-11)10-7-4-8-14-10/h1-8,12H
InChIKeyCBOMKCTYJBUJOB-UHFFFAOYSA-N
XLogP2.82
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-phenyl-2H-azirine?
The IUPAC name of 2-(furan-2-yl)-3-phenyl-2H-azirine (CID 138968243) is 2-(furan-2-yl)-3-phenyl-2H-azirine.
What is the SMILES notation for 2-(furan-2-yl)-3-phenyl-2H-azirine?
The canonical SMILES for 2-(furan-2-yl)-3-phenyl-2H-azirine is c1ccc(C2=NC2c2ccco2)cc1.
What is the InChIKey of 2-(furan-2-yl)-3-phenyl-2H-azirine?
The InChIKey is CBOMKCTYJBUJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c1-2-5-9(6-3-1)11-12(13-11)10-7-4-8-14-10/h1-8,12H.
What are the key properties of 2-(furan-2-yl)-3-phenyl-2H-azirine?
2-(furan-2-yl)-3-phenyl-2H-azirine has a molecular weight of 183.21 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-phenyl-2H-azirine is sourced from PubChem (CID 138968243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).