phenyl(2H-pyran-3-yl)methanimine

C12H11NO — CID 123969693

IUPACphenyl(2H-pyran-3-yl)methanimine
SMILES[H]/N=C(/C1=CC=COC1)c1ccccc1
InChIInChI=1S/C12H11NO/c13-12(10-5-2-1-3-6-10)11-7-4-8-14-9-11/h1-8,13H,9H2/b13-12+
InChIKeyLELYHLALYRDMGA-OUKQBFOZSA-N
MW185.23 g/mol
LogP2.52
Rot. Bonds2

About phenyl(2H-pyran-3-yl)methanimine

phenyl(2H-pyran-3-yl)methanimine (PubChem CID 123969693) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is phenyl(2H-pyran-3-yl)methanimine.

Molecular Properties

Compound Namephenyl(2H-pyran-3-yl)methanimine
PubChem CID123969693
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Namephenyl(2H-pyran-3-yl)methanimine
SMILES[H]/N=C(/C1=CC=COC1)c1ccccc1
InChIInChI=1S/C12H11NO/c13-12(10-5-2-1-3-6-10)11-7-4-8-14-9-11/h1-8,13H,9H2/b13-12+
InChIKeyLELYHLALYRDMGA-OUKQBFOZSA-N
XLogP2.52
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.52
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 phenyl(2H-pyran-3-yl)methanimine?
The IUPAC name of phenyl(2H-pyran-3-yl)methanimine (CID 123969693) is phenyl(2H-pyran-3-yl)methanimine.
What is the SMILES notation for phenyl(2H-pyran-3-yl)methanimine?
The canonical SMILES for phenyl(2H-pyran-3-yl)methanimine is [H]/N=C(/C1=CC=COC1)c1ccccc1.
What is the InChIKey of phenyl(2H-pyran-3-yl)methanimine?
The InChIKey is LELYHLALYRDMGA-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H11NO/c13-12(10-5-2-1-3-6-10)11-7-4-8-14-9-11/h1-8,13H,9H2/b13-12+.
What are the key properties of phenyl(2H-pyran-3-yl)methanimine?
phenyl(2H-pyran-3-yl)methanimine has a molecular weight of 185.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(2H-pyran-3-yl)methanimine is sourced from PubChem (CID 123969693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).