2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione

C17H13NO3 — CID 14395653

IUPAC2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C/C=C/C=C/c1ccco1
InChIInChI=1S/C17H13NO3/c19-16-14-9-3-4-10-15(14)17(20)18(16)11-5-1-2-7-13-8-6-12-21-13/h1-10,12H,11H2/b5-1+,7-2+
InChIKeyGHPPORORUKHNBK-OXAVVNGUSA-N
MW279.30 g/mol
LogP3.15
Rot. Bonds4

About 2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione

2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione (PubChem CID 14395653) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione
PubChem CID14395653
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C/C=C/C=C/c1ccco1
InChIInChI=1S/C17H13NO3/c19-16-14-9-3-4-10-15(14)17(20)18(16)11-5-1-2-7-13-8-6-12-21-13/h1-10,12H,11H2/b5-1+,7-2+
InChIKeyGHPPORORUKHNBK-OXAVVNGUSA-N
XLogP3.15
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E,4Z)-5-sulfanylpenta-2,4-dienyl]isoindole-1,3-dione
CID 143478866
2-[(1E,3Z)-hexa-1,3-dienyl]furan
CID 102244674
2-[5-(furan-2-yl)penta-1,3-dienyl]furan
CID 141170087
2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione
CID 15579968
2-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]isoindole-1,3-dione
CID 102314031
2-[(E)-4-aminobut-2-enyl]isoindole-1,3-dione
CID 71285690
ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione
CID 142125300
2-[4-(methylamino)but-2-enyl]isoindole-1,3-dione
CID 123904832
2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione
CID 23047146
5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1279205
2-nona-1,3,5,7-tetraenylfuran
CID 173428871
2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione
CID 150593659

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione (CID 14395653) is 2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C/C=C/C=C/c1ccco1.
What is the InChIKey of 2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione?
The InChIKey is GHPPORORUKHNBK-OXAVVNGUSA-N. The full InChI is InChI=1S/C17H13NO3/c19-16-14-9-3-4-10-15(14)17(20)18(16)11-5-1-2-7-13-8-6-12-21-13/h1-10,12H,11H2/b5-1+,7-2+.
What are the key properties of 2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione?
2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione has a molecular weight of 279.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione is sourced from PubChem (CID 14395653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).