(2Z)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one

C20H18N2O4 — CID 22121340

IUPAC(2Z)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one
SMILESCN(C)c1ccc2c(c1)O/C(=C1\Oc3cc(N(C)C)ccc3C1=O)C2=O
InChIInChI=1S/C20H18N2O4/c1-21(2)11-5-7-13-15(9-11)25-19(17(13)23)20-18(24)14-8-6-12(22(3)4)10-16(14)26-20/h5-10H,1-4H3/b20-19-
InChIKeyZOIHVTQOADWDPH-VXPUYCOJSA-N
MW350.37 g/mol
LogP2.88
Rot. Bonds2

About (2Z)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one

(2Z)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one (PubChem CID 22121340) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (2Z)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one
PubChem CID22121340
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(2Z)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one
SMILESCN(C)c1ccc2c(c1)O/C(=C1\Oc3cc(N(C)C)ccc3C1=O)C2=O
InChIInChI=1S/C20H18N2O4/c1-21(2)11-5-7-13-15(9-11)25-19(17(13)23)20-18(24)14-8-6-12(22(3)4)10-16(14)26-20/h5-10H,1-4H3/b20-19-
InChIKeyZOIHVTQOADWDPH-VXPUYCOJSA-N
XLogP2.88
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_M(3)', '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)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one (CID 22121340) is (2Z)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one is CN(C)c1ccc2c(c1)O/C(=C1\Oc3cc(N(C)C)ccc3C1=O)C2=O.
What is the InChIKey of (2Z)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one?
The InChIKey is ZOIHVTQOADWDPH-VXPUYCOJSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-21(2)11-5-7-13-15(9-11)25-19(17(13)23)20-18(24)14-8-6-12(22(3)4)10-16(14)26-20/h5-10H,1-4H3/b20-19-.
What are the key properties of (2Z)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one?
(2Z)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one has a molecular weight of 350.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one is sourced from PubChem (CID 22121340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).