2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene

C24H20N2O4 — CID 143563260

IUPAC2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene
SMILESC/C=C(\C=C/CN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O.C=C
InChIInChI=1S/C22H16N2O4.C2H4/c1-2-14(24-21(27)17-11-5-6-12-18(17)22(24)28)8-7-13-23-19(25)15-9-3-4-10-16(15)20(23)26;1-2/h2-12H,13H2,1H3;1-2H2/b8-7-,14-2+;
InChIKeyWJMWZCPVUYMNHE-HUMKBXEMSA-N
MW400.43 g/mol
LogP3.84
Rot. Bonds4

About 2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene

2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene (PubChem CID 143563260) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene.

Molecular Properties

Compound Name2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene
PubChem CID143563260
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene
SMILESC/C=C(\C=C/CN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O.C=C
InChIInChI=1S/C22H16N2O4.C2H4/c1-2-14(24-21(27)17-11-5-6-12-18(17)22(24)28)8-7-13-23-19(25)15-9-3-4-10-16(15)20(23)26;1-2/h2-12H,13H2,1H3;1-2H2/b8-7-,14-2+;
InChIKeyWJMWZCPVUYMNHE-HUMKBXEMSA-N
XLogP3.84
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(methylamino)but-2-enyl]isoindole-1,3-dione
CID 123904832
propan-2-yl 4-(1,3-dioxoisoindol-2-yl)but-2-enoate
CID 615760
ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione
CID 142125300
2-[(E)-4-aminobut-2-enyl]isoindole-1,3-dione
CID 71285690
(Z)-7-(1,3-dioxoisoindol-2-yl)hept-5-enoic acid
CID 67946768
2-[(2E,4Z)-5-sulfanylpenta-2,4-dienyl]isoindole-1,3-dione
CID 143478866
2-[(2Z)-3,7-dimethylocta-2,6-dienyl]isoindole-1,3-dione
CID 13123287
2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione
CID 23374871
2-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]isoindole-1,3-dione
CID 102314031
2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione
CID 23047146
2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione
CID 15579968
2-[(2E,4Z)-6-hydroxyhexa-2,4-dien-3-yl]-5-[(E)-prop-1-enoxy]isoindole-1,3-dione
CID 143556330

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene?
The IUPAC name of 2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene (CID 143563260) is 2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene.
What is the SMILES notation for 2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene?
The canonical SMILES for 2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene is C/C=C(\C=C/CN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O.C=C.
What is the InChIKey of 2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene?
The InChIKey is WJMWZCPVUYMNHE-HUMKBXEMSA-N. The full InChI is InChI=1S/C22H16N2O4.C2H4/c1-2-14(24-21(27)17-11-5-6-12-18(17)22(24)28)8-7-13-23-19(25)15-9-3-4-10-16(15)20(23)26;1-2/h2-12H,13H2,1H3;1-2H2/b8-7-,14-2+;.
What are the key properties of 2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene?
2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene has a molecular weight of 400.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene is sourced from PubChem (CID 143563260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).