1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpent-2-en-2-yl]phenyl]pyrrole-2,5-dione

C26H22N2O4 — CID 54379994

IUPAC1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpent-2-en-2-yl]phenyl]pyrrole-2,5-dione
SMILESCC(=CC(C)(C)c1ccc(N2C(=O)C=CC2=O)cc1)c1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C26H22N2O4/c1-17(18-4-8-20(9-5-18)27-22(29)12-13-23(27)30)16-26(2,3)19-6-10-21(11-7-19)28-24(31)14-15-25(28)32/h4-16H,1-3H3
InChIKeyUZFVTEYRBQJKLW-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.93
Rot. Bonds5

About 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpent-2-en-2-yl]phenyl]pyrrole-2,5-dione

1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpent-2-en-2-yl]phenyl]pyrrole-2,5-dione (PubChem CID 54379994) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpent-2-en-2-yl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpent-2-en-2-yl]phenyl]pyrrole-2,5-dione
PubChem CID54379994
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpent-2-en-2-yl]phenyl]pyrrole-2,5-dione
SMILESCC(=CC(C)(C)c1ccc(N2C(=O)C=CC2=O)cc1)c1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C26H22N2O4/c1-17(18-4-8-20(9-5-18)27-22(29)12-13-23(27)30)16-26(2,3)19-6-10-21(11-7-19)28-24(31)14-15-25(28)32/h4-16H,1-3H3
InChIKeyUZFVTEYRBQJKLW-UHFFFAOYSA-N
XLogP3.93
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpent-2-en-2-yl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpent-2-en-2-yl]phenyl]pyrrole-2,5-dione (CID 54379994) is 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpent-2-en-2-yl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpent-2-en-2-yl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpent-2-en-2-yl]phenyl]pyrrole-2,5-dione is CC(=CC(C)(C)c1ccc(N2C(=O)C=CC2=O)cc1)c1ccc(N2C(=O)C=CC2=O)cc1.
What is the InChIKey of 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpent-2-en-2-yl]phenyl]pyrrole-2,5-dione?
The InChIKey is UZFVTEYRBQJKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-17(18-4-8-20(9-5-18)27-22(29)12-13-23(27)30)16-26(2,3)19-6-10-21(11-7-19)28-24(31)14-15-25(28)32/h4-16H,1-3H3.
What are the key properties of 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpent-2-en-2-yl]phenyl]pyrrole-2,5-dione?
1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpent-2-en-2-yl]phenyl]pyrrole-2,5-dione has a molecular weight of 426.47 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpent-2-en-2-yl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 54379994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).