1-[4-(4-azidophenoxy)phenyl]pyrrole-2,5-dione

C16H10N4O3 — CID 20572000

IUPAC1-[4-(4-azidophenoxy)phenyl]pyrrole-2,5-dione
SMILES[N-]=[N+]=Nc1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1
InChIInChI=1S/C16H10N4O3/c17-19-18-11-1-5-13(6-2-11)23-14-7-3-12(4-8-14)20-15(21)9-10-16(20)22/h1-10H
InChIKeyFZWYPWNMQBUVLJ-UHFFFAOYSA-N
MW306.28 g/mol
LogP3.85
Rot. Bonds4

About 1-[4-(4-azidophenoxy)phenyl]pyrrole-2,5-dione

1-[4-(4-azidophenoxy)phenyl]pyrrole-2,5-dione (PubChem CID 20572000) has the molecular formula C16H10N4O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 1-[4-(4-azidophenoxy)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(4-azidophenoxy)phenyl]pyrrole-2,5-dione
PubChem CID20572000
Molecular FormulaC16H10N4O3
Molecular Weight306.28 g/mol
Exact Mass306.08
IUPAC Name1-[4-(4-azidophenoxy)phenyl]pyrrole-2,5-dione
SMILES[N-]=[N+]=Nc1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1
InChIInChI=1S/C16H10N4O3/c17-19-18-11-1-5-13(6-2-11)23-14-7-3-12(4-8-14)20-15(21)9-10-16(20)22/h1-10H
InChIKeyFZWYPWNMQBUVLJ-UHFFFAOYSA-N
XLogP3.85
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-azidophenoxy)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-(4-azidophenoxy)phenyl]pyrrole-2,5-dione (CID 20572000) is 1-[4-(4-azidophenoxy)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(4-azidophenoxy)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(4-azidophenoxy)phenyl]pyrrole-2,5-dione is [N-]=[N+]=Nc1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1.
What is the InChIKey of 1-[4-(4-azidophenoxy)phenyl]pyrrole-2,5-dione?
The InChIKey is FZWYPWNMQBUVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O3/c17-19-18-11-1-5-13(6-2-11)23-14-7-3-12(4-8-14)20-15(21)9-10-16(20)22/h1-10H.
What are the key properties of 1-[4-(4-azidophenoxy)phenyl]pyrrole-2,5-dione?
1-[4-(4-azidophenoxy)phenyl]pyrrole-2,5-dione has a molecular weight of 306.28 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-azidophenoxy)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 20572000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).