phenyl-(3-phenyl-2H-azirin-2-yl)methanone

C15H11NO — CID 570123

IUPACphenyl-(3-phenyl-2H-azirin-2-yl)methanone
SMILESO=C(c1ccccc1)C1N=C1c1ccccc1
InChIInChI=1S/C15H11NO/c17-15(12-9-5-2-6-10-12)14-13(16-14)11-7-3-1-4-8-11/h1-10,14H
InChIKeyCQDPFIXVXYMXCT-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.74
Rot. Bonds3

About phenyl-(3-phenyl-2H-azirin-2-yl)methanone

phenyl-(3-phenyl-2H-azirin-2-yl)methanone (PubChem CID 570123) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is phenyl-(3-phenyl-2H-azirin-2-yl)methanone.

Molecular Properties

Compound Namephenyl-(3-phenyl-2H-azirin-2-yl)methanone
PubChem CID570123
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Namephenyl-(3-phenyl-2H-azirin-2-yl)methanone
SMILESO=C(c1ccccc1)C1N=C1c1ccccc1
InChIInChI=1S/C15H11NO/c17-15(12-9-5-2-6-10-12)14-13(16-14)11-7-3-1-4-8-11/h1-10,14H
InChIKeyCQDPFIXVXYMXCT-UHFFFAOYSA-N
XLogP2.74
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-(3-phenyl-2H-azirin-2-yl)methanone?
The IUPAC name of phenyl-(3-phenyl-2H-azirin-2-yl)methanone (CID 570123) is phenyl-(3-phenyl-2H-azirin-2-yl)methanone.
What is the SMILES notation for phenyl-(3-phenyl-2H-azirin-2-yl)methanone?
The canonical SMILES for phenyl-(3-phenyl-2H-azirin-2-yl)methanone is O=C(c1ccccc1)C1N=C1c1ccccc1.
What is the InChIKey of phenyl-(3-phenyl-2H-azirin-2-yl)methanone?
The InChIKey is CQDPFIXVXYMXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-15(12-9-5-2-6-10-12)14-13(16-14)11-7-3-1-4-8-11/h1-10,14H.
What are the key properties of phenyl-(3-phenyl-2H-azirin-2-yl)methanone?
phenyl-(3-phenyl-2H-azirin-2-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-phenyl-2H-azirin-2-yl)methanone is sourced from PubChem (CID 570123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).