4-(benzylamino)-5,5-dimethylfuran-2-one

C13H15NO2 — CID 102422900

IUPAC4-(benzylamino)-5,5-dimethylfuran-2-one
SMILESCC1(C)OC(=O)C=C1NCc1ccccc1
InChIInChI=1S/C13H15NO2/c1-13(2)11(8-12(15)16-13)14-9-10-6-4-3-5-7-10/h3-8,14H,9H2,1-2H3
InChIKeyGIDATNQYTDTOOI-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.00
Rot. Bonds3

About 4-(benzylamino)-5,5-dimethylfuran-2-one

4-(benzylamino)-5,5-dimethylfuran-2-one (PubChem CID 102422900) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(benzylamino)-5,5-dimethylfuran-2-one.

Molecular Properties

Compound Name4-(benzylamino)-5,5-dimethylfuran-2-one
PubChem CID102422900
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-(benzylamino)-5,5-dimethylfuran-2-one
SMILESCC1(C)OC(=O)C=C1NCc1ccccc1
InChIInChI=1S/C13H15NO2/c1-13(2)11(8-12(15)16-13)14-9-10-6-4-3-5-7-10/h3-8,14H,9H2,1-2H3
InChIKeyGIDATNQYTDTOOI-UHFFFAOYSA-N
XLogP2.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one
CID 684171
(2R)-3-(benzylamino)-2-phenyl-2H-furan-5-one
CID 25257271
2,2-dimethyl-6-[(2R)-1-phenylbutan-2-yl]-1,3-dioxin-4-one
CID 11780245
(5R)-4-hydroxy-5-methyl-5-phenylfuran-2-one
CID 69070002
6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 15062403
3-(benzylamino)-4-(methylamino)cyclobut-3-ene-1,2-dione;ethane
CID 145166607
1,4,5,8-tetrakis(benzylamino)anthracene-9,10-dione
CID 154150456
(4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 685731
2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
CID 11808654
(5R)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
CID 11066450
(4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187856
CID 163931246
CID 163931246

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-5,5-dimethylfuran-2-one?
The IUPAC name of 4-(benzylamino)-5,5-dimethylfuran-2-one (CID 102422900) is 4-(benzylamino)-5,5-dimethylfuran-2-one.
What is the SMILES notation for 4-(benzylamino)-5,5-dimethylfuran-2-one?
The canonical SMILES for 4-(benzylamino)-5,5-dimethylfuran-2-one is CC1(C)OC(=O)C=C1NCc1ccccc1.
What is the InChIKey of 4-(benzylamino)-5,5-dimethylfuran-2-one?
The InChIKey is GIDATNQYTDTOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-13(2)11(8-12(15)16-13)14-9-10-6-4-3-5-7-10/h3-8,14H,9H2,1-2H3.
What are the key properties of 4-(benzylamino)-5,5-dimethylfuran-2-one?
4-(benzylamino)-5,5-dimethylfuran-2-one has a molecular weight of 217.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-5,5-dimethylfuran-2-one is sourced from PubChem (CID 102422900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).