4-amino-5,5-dimethyl-3-phenylfuran-2-one

C12H13NO2 — CID 13433584

IUPAC4-amino-5,5-dimethyl-3-phenylfuran-2-one
SMILESCC1(C)OC(=O)C(c2ccccc2)=C1N
InChIInChI=1S/C12H13NO2/c1-12(2)10(13)9(11(14)15-12)8-6-4-3-5-7-8/h3-7H,13H2,1-2H3
InChIKeyUHMMFQMQUPBSQJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.69
Rot. Bonds1

About 4-amino-5,5-dimethyl-3-phenylfuran-2-one

4-amino-5,5-dimethyl-3-phenylfuran-2-one (PubChem CID 13433584) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-amino-5,5-dimethyl-3-phenylfuran-2-one.

Molecular Properties

Compound Name4-amino-5,5-dimethyl-3-phenylfuran-2-one
PubChem CID13433584
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-amino-5,5-dimethyl-3-phenylfuran-2-one
SMILESCC1(C)OC(=O)C(c2ccccc2)=C1N
InChIInChI=1S/C12H13NO2/c1-12(2)10(13)9(11(14)15-12)8-6-4-3-5-7-8/h3-7H,13H2,1-2H3
InChIKeyUHMMFQMQUPBSQJ-UHFFFAOYSA-N
XLogP1.69
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5-dimethyl-3-phenylfuran-2-one?
The IUPAC name of 4-amino-5,5-dimethyl-3-phenylfuran-2-one (CID 13433584) is 4-amino-5,5-dimethyl-3-phenylfuran-2-one.
What is the SMILES notation for 4-amino-5,5-dimethyl-3-phenylfuran-2-one?
The canonical SMILES for 4-amino-5,5-dimethyl-3-phenylfuran-2-one is CC1(C)OC(=O)C(c2ccccc2)=C1N.
What is the InChIKey of 4-amino-5,5-dimethyl-3-phenylfuran-2-one?
The InChIKey is UHMMFQMQUPBSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(2)10(13)9(11(14)15-12)8-6-4-3-5-7-8/h3-7H,13H2,1-2H3.
What are the key properties of 4-amino-5,5-dimethyl-3-phenylfuran-2-one?
4-amino-5,5-dimethyl-3-phenylfuran-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,5-dimethyl-3-phenylfuran-2-one is sourced from PubChem (CID 13433584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).