(3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one

C19H15NO2 — CID 10446890

IUPAC(3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one
SMILESC/C(=C\c1ccccc1)C(=O)/C=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C19H15NO2/c1-13(11-14-7-3-2-4-8-14)18(21)12-16-15-9-5-6-10-17(15)20-19(16)22/h2-12H,1H3,(H,20,22)/b13-11+,16-12+
InChIKeyFVNGZFPMAJALFK-PKRRCJCNSA-N
MW289.33 g/mol
LogP3.69
Rot. Bonds3

About (3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one

(3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one (PubChem CID 10446890) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is (3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one
PubChem CID10446890
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name(3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one
SMILESC/C(=C\c1ccccc1)C(=O)/C=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C19H15NO2/c1-13(11-14-7-3-2-4-8-14)18(21)12-16-15-9-5-6-10-17(15)20-19(16)22/h2-12H,1H3,(H,20,22)/b13-11+,16-12+
InChIKeyFVNGZFPMAJALFK-PKRRCJCNSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-[(3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 6289582
(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 5378858
(3Z)-3-phenacylidene-1H-indol-2-one
CID 682362
(2E)-2-(2-oxo-1H-indol-3-ylidene)acetate
CID 2345191
(3E)-3-[(3E)-3-benzylidene-2-oxopentylidene]-5-bromo-1H-indol-2-one
CID 10339846
3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-1H-indol-2-one
CID 71835393
(3E)-3-(2-hydroxypropylidene)-1H-indol-2-one
CID 177425892
(3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one
CID 136828463
(E)-5-[[(1Z)-3-methyl-1-(2-oxo-1H-indol-3-ylidene)but-2-en-2-yl]amino]hex-4-enoic acid
CID 142857951
(E)-3-methyl-2-oxo-4-phenylbut-3-enoic acid
CID 15110556
(3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947880
3-[4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enylidene]-1H-indol-2-one
CID 123982841

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one (CID 10446890) is (3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one is C/C(=C\c1ccccc1)C(=O)/C=C1/C(=O)Nc2ccccc21.
What is the InChIKey of (3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one?
The InChIKey is FVNGZFPMAJALFK-PKRRCJCNSA-N. The full InChI is InChI=1S/C19H15NO2/c1-13(11-14-7-3-2-4-8-14)18(21)12-16-15-9-5-6-10-17(15)20-19(16)22/h2-12H,1H3,(H,20,22)/b13-11+,16-12+.
What are the key properties of (3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one?
(3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one has a molecular weight of 289.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one is sourced from PubChem (CID 10446890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).