(3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one

C13H13NO2 — CID 762462

IUPAC(3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one
SMILESCN(C)/C=C1\C=C(c2ccccc2)OC1=O
InChIInChI=1S/C13H13NO2/c1-14(2)9-11-8-12(16-13(11)15)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-9+
InChIKeyFUUCTFSVJSWKLR-PKNBQFBNSA-N
MW215.25 g/mol
LogP2.03
Rot. Bonds2

About (3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one

(3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one (PubChem CID 762462) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one.

Molecular Properties

Compound Name(3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one
PubChem CID762462
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one
SMILESCN(C)/C=C1\C=C(c2ccccc2)OC1=O
InChIInChI=1S/C13H13NO2/c1-14(2)9-11-8-12(16-13(11)15)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-9+
InChIKeyFUUCTFSVJSWKLR-PKNBQFBNSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(dimethylamino)methylene]-5-phenyl-2(3H)-furanone
CID 762465
3-(4-morpholinylmethylene)-5-phenyl-2(3H)-furanone
CID 2207818
(3Z)-5-phenyl-3-(piperidin-1-ylmethylene)furan-2(3H)-one
CID 3242307
5-Phenyl-3H-furan-2-one
CID 283743
3-Morpholin-4-ylmethylene-5-phenyl-3H-furan-2-one
CID 2207819
Furane-2(3H)-thione, 3-dimethylaminomethylene-5-phenyl-
CID 5363057
5-(Dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile
CID 6538287
3-Chloro-4-(dimethylamino)-6-phenylpyran-2-one
CID 330050
(3E)-5-phenyl-3-(piperidin-1-ylmethylidene)furan-2-one
CID 6004151
(e)-3-[(Dimethylamino)methylidene]-5-phenylfuran-2(3h)-thione
CID 6188101
4-(Dimethylamino)-2-oxo-6-phenylpyran-3-carbonitrile
CID 11031992
3-Methyl-6-phenylpyran-2-one
CID 12219856

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one?
The IUPAC name of (3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one (CID 762462) is (3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one.
What is the SMILES notation for (3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one?
The canonical SMILES for (3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one is CN(C)/C=C1\C=C(c2ccccc2)OC1=O.
What is the InChIKey of (3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one?
The InChIKey is FUUCTFSVJSWKLR-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H13NO2/c1-14(2)9-11-8-12(16-13(11)15)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-9+.
What are the key properties of (3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one?
(3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one is sourced from PubChem (CID 762462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).