[3-(2H-azirin-3-yl)phenyl]methanimine

C9H8N2 — CID 130414851

IUPAC[3-(2H-azirin-3-yl)phenyl]methanimine
SMILES[H]/N=C/c1cccc(C2=NC2)c1
InChIInChI=1S/C9H8N2/c10-5-7-2-1-3-8(4-7)9-6-11-9/h1-5,10H,6H2/b10-5+
InChIKeyMCJDETDEZJUTBA-BJMVGYQFSA-N
MW144.18 g/mol
LogP1.49
Rot. Bonds2

About [3-(2H-azirin-3-yl)phenyl]methanimine

[3-(2H-azirin-3-yl)phenyl]methanimine (PubChem CID 130414851) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is [3-(2H-azirin-3-yl)phenyl]methanimine.

Molecular Properties

Compound Name[3-(2H-azirin-3-yl)phenyl]methanimine
PubChem CID130414851
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name[3-(2H-azirin-3-yl)phenyl]methanimine
SMILES[H]/N=C/c1cccc(C2=NC2)c1
InChIInChI=1S/C9H8N2/c10-5-7-2-1-3-8(4-7)9-6-11-9/h1-5,10H,6H2/b10-5+
InChIKeyMCJDETDEZJUTBA-BJMVGYQFSA-N
XLogP1.49
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2H-azirin-3-yl)phenyl]methanimine?
The IUPAC name of [3-(2H-azirin-3-yl)phenyl]methanimine (CID 130414851) is [3-(2H-azirin-3-yl)phenyl]methanimine.
What is the SMILES notation for [3-(2H-azirin-3-yl)phenyl]methanimine?
The canonical SMILES for [3-(2H-azirin-3-yl)phenyl]methanimine is [H]/N=C/c1cccc(C2=NC2)c1.
What is the InChIKey of [3-(2H-azirin-3-yl)phenyl]methanimine?
The InChIKey is MCJDETDEZJUTBA-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H8N2/c10-5-7-2-1-3-8(4-7)9-6-11-9/h1-5,10H,6H2/b10-5+.
What are the key properties of [3-(2H-azirin-3-yl)phenyl]methanimine?
[3-(2H-azirin-3-yl)phenyl]methanimine has a molecular weight of 144.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2H-azirin-3-yl)phenyl]methanimine is sourced from PubChem (CID 130414851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).