1,2-dimethyl-3-phenylazirine

C10H11N — CID 45088049

IUPAC1,2-dimethyl-3-phenylazirine
SMILESCC1=C(c2ccccc2)N1C
InChIInChI=1S/C10H11N/c1-8-10(11(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeySZARHSNGPAKCHQ-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.32
Rot. Bonds1

About 1,2-dimethyl-3-phenylazirine

1,2-dimethyl-3-phenylazirine (PubChem CID 45088049) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 1,2-dimethyl-3-phenylazirine.

Molecular Properties

Compound Name1,2-dimethyl-3-phenylazirine
PubChem CID45088049
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name1,2-dimethyl-3-phenylazirine
SMILESCC1=C(c2ccccc2)N1C
InChIInChI=1S/C10H11N/c1-8-10(11(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeySZARHSNGPAKCHQ-UHFFFAOYSA-N
XLogP2.32
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;methane;1-methyl-4-phenylbenzene
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5,7,10-trimethyl-2,3-diphenylphenazine
CID 18761853
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1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile
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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-phenylazirine?
The IUPAC name of 1,2-dimethyl-3-phenylazirine (CID 45088049) is 1,2-dimethyl-3-phenylazirine.
What is the SMILES notation for 1,2-dimethyl-3-phenylazirine?
The canonical SMILES for 1,2-dimethyl-3-phenylazirine is CC1=C(c2ccccc2)N1C.
What is the InChIKey of 1,2-dimethyl-3-phenylazirine?
The InChIKey is SZARHSNGPAKCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-10(11(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of 1,2-dimethyl-3-phenylazirine?
1,2-dimethyl-3-phenylazirine has a molecular weight of 145.20 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-phenylazirine is sourced from PubChem (CID 45088049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).