1-(3-methyl-2-phenylazirin-2-yl)ethanone

C11H11NO — CID 101479142

IUPAC1-(3-methyl-2-phenylazirin-2-yl)ethanone
SMILESCC(=O)C1(c2ccccc2)N=C1C
InChIInChI=1S/C11H11NO/c1-8-11(12-8,9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyHJIVKKRZKWIGMX-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.95
Rot. Bonds2

About 1-(3-methyl-2-phenylazirin-2-yl)ethanone

1-(3-methyl-2-phenylazirin-2-yl)ethanone (PubChem CID 101479142) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(3-methyl-2-phenylazirin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-2-phenylazirin-2-yl)ethanone
PubChem CID101479142
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name1-(3-methyl-2-phenylazirin-2-yl)ethanone
SMILESCC(=O)C1(c2ccccc2)N=C1C
InChIInChI=1S/C11H11NO/c1-8-11(12-8,9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyHJIVKKRZKWIGMX-UHFFFAOYSA-N
XLogP1.95
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-2-phenylazirine-2-carboxamide
CID 101078186
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CID 14978296
1-[(2R)-3-methyl-2-phenyldiazenylazirin-2-yl]ethanone
CID 124527912
ethyl 3-benzyl-2-phenylazirine-2-carboxylate
CID 101479144
1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone
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1-[(4R,5R)-2,5-dimethyl-5-phenyl-4-propan-2-yl-4H-imidazol-3-yl]ethanone
CID 164678945
1-(2-phenylpyrrolidin-2-yl)ethanone
CID 91015511
1-(2-phenyl-3H-thiophen-2-yl)ethanone
CID 70352090
(4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic acid
CID 10679745
acetic acid;benzene;ethane;toluene
CID 90764441
acetic acid;toluene;hydrate
CID 158738724
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CID 90221549

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-phenylazirin-2-yl)ethanone?
The IUPAC name of 1-(3-methyl-2-phenylazirin-2-yl)ethanone (CID 101479142) is 1-(3-methyl-2-phenylazirin-2-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-2-phenylazirin-2-yl)ethanone?
The canonical SMILES for 1-(3-methyl-2-phenylazirin-2-yl)ethanone is CC(=O)C1(c2ccccc2)N=C1C.
What is the InChIKey of 1-(3-methyl-2-phenylazirin-2-yl)ethanone?
The InChIKey is HJIVKKRZKWIGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-11(12-8,9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 1-(3-methyl-2-phenylazirin-2-yl)ethanone?
1-(3-methyl-2-phenylazirin-2-yl)ethanone has a molecular weight of 173.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-phenylazirin-2-yl)ethanone is sourced from PubChem (CID 101479142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).