(2E)-1-(2-methylpropanoyl)-2-[1-(2-methylpropanoyl)-3-oxoindol-2-ylidene]indol-3-one

C24H22N2O4 — CID 12827722

IUPAC(2E)-1-(2-methylpropanoyl)-2-[1-(2-methylpropanoyl)-3-oxoindol-2-ylidene]indol-3-one
SMILESCC(C)C(=O)N1/C(=C2\C(=O)c3ccccc3N2C(=O)C(C)C)C(=O)c2ccccc21
InChIInChI=1S/C24H22N2O4/c1-13(2)23(29)25-17-11-7-5-9-15(17)21(27)19(25)20-22(28)16-10-6-8-12-18(16)26(20)24(30)14(3)4/h5-14H,1-4H3/b20-19+
InChIKeyYBURQJAWRGPQDC-FMQUCBEESA-N
MW402.45 g/mol
LogP3.97
Rot. Bonds2

About (2E)-1-(2-methylpropanoyl)-2-[1-(2-methylpropanoyl)-3-oxoindol-2-ylidene]indol-3-one

(2E)-1-(2-methylpropanoyl)-2-[1-(2-methylpropanoyl)-3-oxoindol-2-ylidene]indol-3-one (PubChem CID 12827722) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is (2E)-1-(2-methylpropanoyl)-2-[1-(2-methylpropanoyl)-3-oxoindol-2-ylidene]indol-3-one.

Molecular Properties

Compound Name(2E)-1-(2-methylpropanoyl)-2-[1-(2-methylpropanoyl)-3-oxoindol-2-ylidene]indol-3-one
PubChem CID12827722
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name(2E)-1-(2-methylpropanoyl)-2-[1-(2-methylpropanoyl)-3-oxoindol-2-ylidene]indol-3-one
SMILESCC(C)C(=O)N1/C(=C2\C(=O)c3ccccc3N2C(=O)C(C)C)C(=O)c2ccccc21
InChIInChI=1S/C24H22N2O4/c1-13(2)23(29)25-17-11-7-5-9-15(17)21(27)19(25)20-22(28)16-10-6-8-12-18(16)26(20)24(30)14(3)4/h5-14H,1-4H3/b20-19+
InChIKeyYBURQJAWRGPQDC-FMQUCBEESA-N
XLogP3.97
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_E(44)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,10-bis[(2E)-2-(1-acetyl-3-oxoindol-2-ylidene)-3-oxoindol-1-yl]decane-1,10-dione
CID 13261300
1-(2-methylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336498
ethyl 2-[(2E)-2-[1-(2-ethoxy-2-oxoethyl)-3-oxoindol-2-ylidene]-3-oxoindol-1-yl]acetate
CID 178001769
(2E)-2-[1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one
CID 139422594
(2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate
CID 86623508
(2E)-2-[1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one iodide
CID 162310457
CID 67824005
CID 67824005
anthracene-9,10-dione;propane
CID 162068050
2,3-dioxo-N-phenylindole-1-carboxamide
CID 3582125
2-(2,3-dioxoindol-1-yl)-3,3-dimethylbutanoic acid
CID 24820778
1-(4-chlorobenzoyl)indole-2,3-dione
CID 13040311
[(1R)-1-cyanoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804446

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(2-methylpropanoyl)-2-[1-(2-methylpropanoyl)-3-oxoindol-2-ylidene]indol-3-one?
The IUPAC name of (2E)-1-(2-methylpropanoyl)-2-[1-(2-methylpropanoyl)-3-oxoindol-2-ylidene]indol-3-one (CID 12827722) is (2E)-1-(2-methylpropanoyl)-2-[1-(2-methylpropanoyl)-3-oxoindol-2-ylidene]indol-3-one.
What is the SMILES notation for (2E)-1-(2-methylpropanoyl)-2-[1-(2-methylpropanoyl)-3-oxoindol-2-ylidene]indol-3-one?
The canonical SMILES for (2E)-1-(2-methylpropanoyl)-2-[1-(2-methylpropanoyl)-3-oxoindol-2-ylidene]indol-3-one is CC(C)C(=O)N1/C(=C2\C(=O)c3ccccc3N2C(=O)C(C)C)C(=O)c2ccccc21.
What is the InChIKey of (2E)-1-(2-methylpropanoyl)-2-[1-(2-methylpropanoyl)-3-oxoindol-2-ylidene]indol-3-one?
The InChIKey is YBURQJAWRGPQDC-FMQUCBEESA-N. The full InChI is InChI=1S/C24H22N2O4/c1-13(2)23(29)25-17-11-7-5-9-15(17)21(27)19(25)20-22(28)16-10-6-8-12-18(16)26(20)24(30)14(3)4/h5-14H,1-4H3/b20-19+.
What are the key properties of (2E)-1-(2-methylpropanoyl)-2-[1-(2-methylpropanoyl)-3-oxoindol-2-ylidene]indol-3-one?
(2E)-1-(2-methylpropanoyl)-2-[1-(2-methylpropanoyl)-3-oxoindol-2-ylidene]indol-3-one has a molecular weight of 402.45 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(2-methylpropanoyl)-2-[1-(2-methylpropanoyl)-3-oxoindol-2-ylidene]indol-3-one is sourced from PubChem (CID 12827722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).