(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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Related Compounds

1-[[(3E)-3-(2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-1-yl]methyl]-3-propylurea
CID 142817321
(3E)-3-[3-(2-hydroxyprop-2-enyl)-6-methoxy-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 89416635
2-[3-(6-fluoro-2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-1-yl]acetic acid;3-[3-(2-hydroxyethyl)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 158921941
3-(6,7-dichloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one
CID 76798897
5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide
CID 139145821
(2Z)-3-hydroxy-2-(2-oxo-1H-indol-3-ylidene)-3H-indole-1-sulfonic acid
CID 86291618
(3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one
CID 10353181
(1E)-3,3-dimethyl-1-(2-oxo-1H-indol-3-ylidene)-2-benzofuran-5-carboxylic acid
CID 58586242
3-[2,6-dihydroxy-3a-methyl-3-(2-oxo-1H-indol-3-ylidene)-8aH-furo[2,3-f][1]benzofuran-7-ylidene]-1H-indol-2-one
CID 123542263
(3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one
CID 22154428
(3E)-3-(6-methyl-2-oxo-3-propan-2-ylcyclohexylidene)-1H-indol-2-one
CID 25149191
copper;1H-indole-2,3-dione
CID 70626411

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).