2-benzhydryl-2H-pyran-5-imine

C18H17NO — CID 90715841

IUPAC2-benzhydryl-2H-pyran-5-imine
SMILES[H]/N=C1/C=CC(C(c2ccccc2)c2ccccc2)OC1
InChIInChI=1S/C18H17NO/c19-16-11-12-17(20-13-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,17-19H,13H2/b19-16-
InChIKeyBWQBYMVDHWSRRX-MNDPQUGUSA-N
MW263.34 g/mol
LogP3.79
Rot. Bonds3

About 2-benzhydryl-2H-pyran-5-imine

2-benzhydryl-2H-pyran-5-imine (PubChem CID 90715841) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-benzhydryl-2H-pyran-5-imine.

Molecular Properties

Compound Name2-benzhydryl-2H-pyran-5-imine
PubChem CID90715841
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name2-benzhydryl-2H-pyran-5-imine
SMILES[H]/N=C1/C=CC(C(c2ccccc2)c2ccccc2)OC1
InChIInChI=1S/C18H17NO/c19-16-11-12-17(20-13-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,17-19H,13H2/b19-16-
InChIKeyBWQBYMVDHWSRRX-MNDPQUGUSA-N
XLogP3.79
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.79
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 2-benzhydryl-2H-pyran-5-imine?
The IUPAC name of 2-benzhydryl-2H-pyran-5-imine (CID 90715841) is 2-benzhydryl-2H-pyran-5-imine.
What is the SMILES notation for 2-benzhydryl-2H-pyran-5-imine?
The canonical SMILES for 2-benzhydryl-2H-pyran-5-imine is [H]/N=C1/C=CC(C(c2ccccc2)c2ccccc2)OC1.
What is the InChIKey of 2-benzhydryl-2H-pyran-5-imine?
The InChIKey is BWQBYMVDHWSRRX-MNDPQUGUSA-N. The full InChI is InChI=1S/C18H17NO/c19-16-11-12-17(20-13-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,17-19H,13H2/b19-16-.
What are the key properties of 2-benzhydryl-2H-pyran-5-imine?
2-benzhydryl-2H-pyran-5-imine has a molecular weight of 263.34 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-2H-pyran-5-imine is sourced from PubChem (CID 90715841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).