(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one

C19H17NO2 — CID 5345692

IUPAC(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one
SMILESCN(C)c1ccc(/C=C2/C=C(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C19H17NO2/c1-20(2)17-10-8-14(9-11-17)12-16-13-18(22-19(16)21)15-6-4-3-5-7-15/h3-13H,1-2H3/b16-12-
InChIKeyDANSIMLWHXMFNU-VBKFSLOCSA-N
MW291.35 g/mol
LogP3.73
Rot. Bonds3

About (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one (PubChem CID 5345692) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one
PubChem CID5345692
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one
SMILESCN(C)c1ccc(/C=C2/C=C(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C19H17NO2/c1-20(2)17-10-8-14(9-11-17)12-16-13-18(22-19(16)21)15-6-4-3-5-7-15/h3-13H,1-2H3/b16-12-
InChIKeyDANSIMLWHXMFNU-VBKFSLOCSA-N
XLogP3.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one?
The IUPAC name of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one (CID 5345692) is (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one.
What is the SMILES notation for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one?
The canonical SMILES for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one is CN(C)c1ccc(/C=C2/C=C(c3ccccc3)OC2=O)cc1.
What is the InChIKey of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one?
The InChIKey is DANSIMLWHXMFNU-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H17NO2/c1-20(2)17-10-8-14(9-11-17)12-16-13-18(22-19(16)21)15-6-4-3-5-7-15/h3-13H,1-2H3/b16-12-.
What are the key properties of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one?
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one has a molecular weight of 291.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one is sourced from PubChem (CID 5345692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).