2,2-dimethyl-5-phenylfuran-3-imine

C12H13NO — CID 13333784

IUPAC2,2-dimethyl-5-phenylfuran-3-imine
SMILES[H]/N=C1\C=C(c2ccccc2)OC1(C)C
InChIInChI=1S/C12H13NO/c1-12(2)11(13)8-10(14-12)9-6-4-3-5-7-9/h3-8,13H,1-2H3/b13-11+
InChIKeyUTAFRYHTQHIFPM-ACCUITESSA-N
MW187.24 g/mol
LogP2.86
Rot. Bonds1

About 2,2-dimethyl-5-phenylfuran-3-imine

2,2-dimethyl-5-phenylfuran-3-imine (PubChem CID 13333784) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2,2-dimethyl-5-phenylfuran-3-imine.

Molecular Properties

Compound Name2,2-dimethyl-5-phenylfuran-3-imine
PubChem CID13333784
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2,2-dimethyl-5-phenylfuran-3-imine
SMILES[H]/N=C1\C=C(c2ccccc2)OC1(C)C
InChIInChI=1S/C12H13NO/c1-12(2)11(13)8-10(14-12)9-6-4-3-5-7-9/h3-8,13H,1-2H3/b13-11+
InChIKeyUTAFRYHTQHIFPM-ACCUITESSA-N
XLogP2.86
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.86
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 2,2-dimethyl-5-phenylfuran-3-imine?
The IUPAC name of 2,2-dimethyl-5-phenylfuran-3-imine (CID 13333784) is 2,2-dimethyl-5-phenylfuran-3-imine.
What is the SMILES notation for 2,2-dimethyl-5-phenylfuran-3-imine?
The canonical SMILES for 2,2-dimethyl-5-phenylfuran-3-imine is [H]/N=C1\C=C(c2ccccc2)OC1(C)C.
What is the InChIKey of 2,2-dimethyl-5-phenylfuran-3-imine?
The InChIKey is UTAFRYHTQHIFPM-ACCUITESSA-N. The full InChI is InChI=1S/C12H13NO/c1-12(2)11(13)8-10(14-12)9-6-4-3-5-7-9/h3-8,13H,1-2H3/b13-11+.
What are the key properties of 2,2-dimethyl-5-phenylfuran-3-imine?
2,2-dimethyl-5-phenylfuran-3-imine has a molecular weight of 187.24 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-phenylfuran-3-imine is sourced from PubChem (CID 13333784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).