(3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

C18H16N2O2 — CID 71268355

IUPAC(3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESCN(C)[C@H]1O/C(=C2/C(=O)Nc3ccccc32)c2ccccc21
InChIInChI=1S/C18H16N2O2/c1-20(2)18-12-8-4-3-7-11(12)16(22-18)15-13-9-5-6-10-14(13)19-17(15)21/h3-10,18H,1-2H3,(H,19,21)/b16-15+/t18-/m0/s1
InChIKeyFLSUJUOVKOKWBI-ZPICJPFVSA-N
MW292.34 g/mol
LogP3.10
Rot. Bonds1

About (3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

(3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (PubChem CID 71268355) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
PubChem CID71268355
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESCN(C)[C@H]1O/C(=C2/C(=O)Nc3ccccc32)c2ccccc21
InChIInChI=1S/C18H16N2O2/c1-20(2)18-12-8-4-3-7-11(12)16(22-18)15-13-9-5-6-10-14(13)19-17(15)21/h3-10,18H,1-2H3,(H,19,21)/b16-15+/t18-/m0/s1
InChIKeyFLSUJUOVKOKWBI-ZPICJPFVSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (CID 71268355) is (3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is CN(C)[C@H]1O/C(=C2/C(=O)Nc3ccccc32)c2ccccc21.
What is the InChIKey of (3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The InChIKey is FLSUJUOVKOKWBI-ZPICJPFVSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-20(2)18-12-8-4-3-7-11(12)16(22-18)15-13-9-5-6-10-14(13)19-17(15)21/h3-10,18H,1-2H3,(H,19,21)/b16-15+/t18-/m0/s1.
What are the key properties of (3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
(3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one has a molecular weight of 292.34 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is sourced from PubChem (CID 71268355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).