(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one

C17H15NO2 — CID 5467627

IUPAC(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one
SMILESCN(C)c1ccc(/C=C2\Oc3ccccc3C2=O)cc1
InChIInChI=1S/C17H15NO2/c1-18(2)13-9-7-12(8-10-13)11-16-17(19)14-5-3-4-6-15(14)20-16/h3-11H,1-2H3/b16-11-
InChIKeyBDLCKVSBCPDQJX-WJDWOHSUSA-N
MW265.31 g/mol
LogP3.37
Rot. Bonds2

About (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one

(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one (PubChem CID 5467627) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one
PubChem CID5467627
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one
SMILESCN(C)c1ccc(/C=C2\Oc3ccccc3C2=O)cc1
InChIInChI=1S/C17H15NO2/c1-18(2)13-9-7-12(8-10-13)11-16-17(19)14-5-3-4-6-15(14)20-16/h3-11H,1-2H3/b16-11-
InChIKeyBDLCKVSBCPDQJX-WJDWOHSUSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.37
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one (CID 5467627) is (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one is CN(C)c1ccc(/C=C2\Oc3ccccc3C2=O)cc1.
What is the InChIKey of (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one?
The InChIKey is BDLCKVSBCPDQJX-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H15NO2/c1-18(2)13-9-7-12(8-10-13)11-16-17(19)14-5-3-4-6-15(14)20-16/h3-11H,1-2H3/b16-11-.
What are the key properties of (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one?
(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one has a molecular weight of 265.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 5467627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).