1-[4-[[4-(2,5-dihydroxypyrrol-1-yl)phenyl]diazenyl]phenyl]pyrrole-2,5-dione

C20H14N4O4 — CID 160650596

IUPAC1-[4-[[4-(2,5-dihydroxypyrrol-1-yl)phenyl]diazenyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(/N=N/c2ccc(-n3c(O)ccc3O)cc2)cc1
InChIInChI=1S/C20H14N4O4/c25-17-9-10-18(26)23(17)15-5-1-13(2-6-15)21-22-14-3-7-16(8-4-14)24-19(27)11-12-20(24)28/h1-12,25-26H/b22-21+
InChIKeyQMZKQILPWLBCMU-QURGRASLSA-N
MW374.36 g/mol
LogP3.73
Rot. Bonds4

About 1-[4-[[4-(2,5-dihydroxypyrrol-1-yl)phenyl]diazenyl]phenyl]pyrrole-2,5-dione

1-[4-[[4-(2,5-dihydroxypyrrol-1-yl)phenyl]diazenyl]phenyl]pyrrole-2,5-dione (PubChem CID 160650596) has the molecular formula C20H14N4O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is 1-[4-[[4-(2,5-dihydroxypyrrol-1-yl)phenyl]diazenyl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[[4-(2,5-dihydroxypyrrol-1-yl)phenyl]diazenyl]phenyl]pyrrole-2,5-dione
PubChem CID160650596
Molecular FormulaC20H14N4O4
Molecular Weight374.36 g/mol
Exact Mass374.10
IUPAC Name1-[4-[[4-(2,5-dihydroxypyrrol-1-yl)phenyl]diazenyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(/N=N/c2ccc(-n3c(O)ccc3O)cc2)cc1
InChIInChI=1S/C20H14N4O4/c25-17-9-10-18(26)23(17)15-5-1-13(2-6-15)21-22-14-3-7-16(8-4-14)24-19(27)11-12-20(24)28/h1-12,25-26H/b22-21+
InChIKeyQMZKQILPWLBCMU-QURGRASLSA-N
XLogP3.73
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2,5-dihydroxypyrrol-1-yl)phenyl]diazenyl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[[4-(2,5-dihydroxypyrrol-1-yl)phenyl]diazenyl]phenyl]pyrrole-2,5-dione (CID 160650596) is 1-[4-[[4-(2,5-dihydroxypyrrol-1-yl)phenyl]diazenyl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[[4-(2,5-dihydroxypyrrol-1-yl)phenyl]diazenyl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[[4-(2,5-dihydroxypyrrol-1-yl)phenyl]diazenyl]phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(/N=N/c2ccc(-n3c(O)ccc3O)cc2)cc1.
What is the InChIKey of 1-[4-[[4-(2,5-dihydroxypyrrol-1-yl)phenyl]diazenyl]phenyl]pyrrole-2,5-dione?
The InChIKey is QMZKQILPWLBCMU-QURGRASLSA-N. The full InChI is InChI=1S/C20H14N4O4/c25-17-9-10-18(26)23(17)15-5-1-13(2-6-15)21-22-14-3-7-16(8-4-14)24-19(27)11-12-20(24)28/h1-12,25-26H/b22-21+.
What are the key properties of 1-[4-[[4-(2,5-dihydroxypyrrol-1-yl)phenyl]diazenyl]phenyl]pyrrole-2,5-dione?
1-[4-[[4-(2,5-dihydroxypyrrol-1-yl)phenyl]diazenyl]phenyl]pyrrole-2,5-dione has a molecular weight of 374.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2,5-dihydroxypyrrol-1-yl)phenyl]diazenyl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 160650596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).