4-methyl-3,3-diphenyloxolan-2-imine

C17H17NO — CID 18520142

IUPAC4-methyl-3,3-diphenyloxolan-2-imine
SMILES[H]/N=C1\OCC(C)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c1-13-12-19-16(18)17(13,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,18H,12H2,1H3/b18-16-
InChIKeyXNUHEYLZULQKOG-VLGSPTGOSA-N
MW251.33 g/mol
LogP3.62
Rot. Bonds2

About 4-methyl-3,3-diphenyloxolan-2-imine

4-methyl-3,3-diphenyloxolan-2-imine (PubChem CID 18520142) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-methyl-3,3-diphenyloxolan-2-imine.

Molecular Properties

Compound Name4-methyl-3,3-diphenyloxolan-2-imine
PubChem CID18520142
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name4-methyl-3,3-diphenyloxolan-2-imine
SMILES[H]/N=C1\OCC(C)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c1-13-12-19-16(18)17(13,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,18H,12H2,1H3/b18-16-
InChIKeyXNUHEYLZULQKOG-VLGSPTGOSA-N
XLogP3.62
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.62
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 4-methyl-3,3-diphenyloxolan-2-imine?
The IUPAC name of 4-methyl-3,3-diphenyloxolan-2-imine (CID 18520142) is 4-methyl-3,3-diphenyloxolan-2-imine.
What is the SMILES notation for 4-methyl-3,3-diphenyloxolan-2-imine?
The canonical SMILES for 4-methyl-3,3-diphenyloxolan-2-imine is [H]/N=C1\OCC(C)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-methyl-3,3-diphenyloxolan-2-imine?
The InChIKey is XNUHEYLZULQKOG-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-12-19-16(18)17(13,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,18H,12H2,1H3/b18-16-.
What are the key properties of 4-methyl-3,3-diphenyloxolan-2-imine?
4-methyl-3,3-diphenyloxolan-2-imine has a molecular weight of 251.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,3-diphenyloxolan-2-imine is sourced from PubChem (CID 18520142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).