3-(4-methylphenyl)-2H-azirine

C9H9N — CID 639130

IUPAC3-(4-methylphenyl)-2H-azirine
SMILESCc1ccc(C2=NC2)cc1
InChIInChI=1S/C9H9N/c1-7-2-4-8(5-3-7)9-6-10-9/h2-5H,6H2,1H3
InChIKeyVHPZCMKWBDZWET-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.80
Rot. Bonds1

About 3-(4-methylphenyl)-2H-azirine

3-(4-methylphenyl)-2H-azirine (PubChem CID 639130) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2H-azirine.

Molecular Properties

Compound Name3-(4-methylphenyl)-2H-azirine
PubChem CID639130
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name3-(4-methylphenyl)-2H-azirine
SMILESCc1ccc(C2=NC2)cc1
InChIInChI=1S/C9H9N/c1-7-2-4-8(5-3-7)9-6-10-9/h2-5H,6H2,1H3
InChIKeyVHPZCMKWBDZWET-UHFFFAOYSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Phenyl-2,3,4,5-tetrahydropyridine
CID 11829725
1-Methyl-3,4-dihydroisoquinoline
CID 231502
2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050
6-(M-tolyl)-2,3,4,5-tetrahydropyridine
CID 68845701
(1Z)-1-(4-Methylphenyl)ethanone oxime
CID 5385523
5-phenyl-3,4-dihydro-2H-pyrrole
CID 261893
Benzhydrylidene methylamine
CID 576539
6-(3-Iodophenyl)-2,3,4,5-tetrahydropyridine
CID 127028296
2,2-dimethyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrolium-1-olate
CID 1483199
2,3-Diphenyl-2H-azirine
CID 140090
1,3,3-Trimethyl-3,4-dihydroisoquinoline
CID 594161
Decylamine, N-benzylidene-
CID 525554

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2H-azirine?
The IUPAC name of 3-(4-methylphenyl)-2H-azirine (CID 639130) is 3-(4-methylphenyl)-2H-azirine.
What is the SMILES notation for 3-(4-methylphenyl)-2H-azirine?
The canonical SMILES for 3-(4-methylphenyl)-2H-azirine is Cc1ccc(C2=NC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2H-azirine?
The InChIKey is VHPZCMKWBDZWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-7-2-4-8(5-3-7)9-6-10-9/h2-5H,6H2,1H3.
What are the key properties of 3-(4-methylphenyl)-2H-azirine?
3-(4-methylphenyl)-2H-azirine has a molecular weight of 131.18 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2H-azirine is sourced from PubChem (CID 639130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).