1-[(2R)-3-methyl-2-phenyldiazenylazirin-2-yl]ethanone

C11H11N3O — CID 124527912

IUPAC1-[(2R)-3-methyl-2-phenyldiazenylazirin-2-yl]ethanone
SMILESCC(=O)[C@@]1(/N=N/c2ccccc2)N=C1C
InChIInChI=1S/C11H11N3O/c1-8-11(12-8,9(2)15)14-13-10-6-4-3-5-7-10/h3-7H,1-2H3/b14-13+/t11-/m1/s1
InChIKeyXCJYCDKBILIEAX-CLMBFONXSA-N
MW201.23 g/mol
LogP2.53
Rot. Bonds3

About 1-[(2R)-3-methyl-2-phenyldiazenylazirin-2-yl]ethanone

1-[(2R)-3-methyl-2-phenyldiazenylazirin-2-yl]ethanone (PubChem CID 124527912) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-[(2R)-3-methyl-2-phenyldiazenylazirin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-3-methyl-2-phenyldiazenylazirin-2-yl]ethanone
PubChem CID124527912
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-[(2R)-3-methyl-2-phenyldiazenylazirin-2-yl]ethanone
SMILESCC(=O)[C@@]1(/N=N/c2ccccc2)N=C1C
InChIInChI=1S/C11H11N3O/c1-8-11(12-8,9(2)15)14-13-10-6-4-3-5-7-10/h3-7H,1-2H3/b14-13+/t11-/m1/s1
InChIKeyXCJYCDKBILIEAX-CLMBFONXSA-N
XLogP2.53
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-methyl-2-phenyldiazenylazirin-2-yl]ethanone?
The IUPAC name of 1-[(2R)-3-methyl-2-phenyldiazenylazirin-2-yl]ethanone (CID 124527912) is 1-[(2R)-3-methyl-2-phenyldiazenylazirin-2-yl]ethanone.
What is the SMILES notation for 1-[(2R)-3-methyl-2-phenyldiazenylazirin-2-yl]ethanone?
The canonical SMILES for 1-[(2R)-3-methyl-2-phenyldiazenylazirin-2-yl]ethanone is CC(=O)[C@@]1(/N=N/c2ccccc2)N=C1C.
What is the InChIKey of 1-[(2R)-3-methyl-2-phenyldiazenylazirin-2-yl]ethanone?
The InChIKey is XCJYCDKBILIEAX-CLMBFONXSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-11(12-8,9(2)15)14-13-10-6-4-3-5-7-10/h3-7H,1-2H3/b14-13+/t11-/m1/s1.
What are the key properties of 1-[(2R)-3-methyl-2-phenyldiazenylazirin-2-yl]ethanone?
1-[(2R)-3-methyl-2-phenyldiazenylazirin-2-yl]ethanone has a molecular weight of 201.23 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-methyl-2-phenyldiazenylazirin-2-yl]ethanone is sourced from PubChem (CID 124527912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).