3-(5-bromo-1H-indol-3-yl)-1-hydroxy-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione

C16H10BrN3O3 — CID 23651156

IUPAC3-(5-bromo-1H-indol-3-yl)-1-hydroxy-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
SMILESO=C1C(c2ccc[nH]2)=C(c2c[nH]c3ccc(Br)cc23)C(=O)N1O
InChIInChI=1S/C16H10BrN3O3/c17-8-3-4-11-9(6-8)10(7-19-11)13-14(12-2-1-5-18-12)16(22)20(23)15(13)21/h1-7,18-19,23H
InChIKeyVWZCWLGUWLJDMS-UHFFFAOYSA-N
MW372.18 g/mol
LogP2.93
Rot. Bonds2

About 3-(5-bromo-1H-indol-3-yl)-1-hydroxy-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione

3-(5-bromo-1H-indol-3-yl)-1-hydroxy-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione (PubChem CID 23651156) has the molecular formula C16H10BrN3O3 and a molecular weight of 372.18 g/mol. Its IUPAC name is 3-(5-bromo-1H-indol-3-yl)-1-hydroxy-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-bromo-1H-indol-3-yl)-1-hydroxy-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
PubChem CID23651156
Molecular FormulaC16H10BrN3O3
Molecular Weight372.18 g/mol
Exact Mass370.99
IUPAC Name3-(5-bromo-1H-indol-3-yl)-1-hydroxy-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
SMILESO=C1C(c2ccc[nH]2)=C(c2c[nH]c3ccc(Br)cc23)C(=O)N1O
InChIInChI=1S/C16H10BrN3O3/c17-8-3-4-11-9(6-8)10(7-19-11)13-14(12-2-1-5-18-12)16(22)20(23)15(13)21/h1-7,18-19,23H
InChIKeyVWZCWLGUWLJDMS-UHFFFAOYSA-N
XLogP2.93
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.18
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1H-indol-3-yl)-1-hydroxy-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(5-bromo-1H-indol-3-yl)-1-hydroxy-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione (CID 23651156) is 3-(5-bromo-1H-indol-3-yl)-1-hydroxy-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(5-bromo-1H-indol-3-yl)-1-hydroxy-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(5-bromo-1H-indol-3-yl)-1-hydroxy-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione is O=C1C(c2ccc[nH]2)=C(c2c[nH]c3ccc(Br)cc23)C(=O)N1O.
What is the InChIKey of 3-(5-bromo-1H-indol-3-yl)-1-hydroxy-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione?
The InChIKey is VWZCWLGUWLJDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O3/c17-8-3-4-11-9(6-8)10(7-19-11)13-14(12-2-1-5-18-12)16(22)20(23)15(13)21/h1-7,18-19,23H.
What are the key properties of 3-(5-bromo-1H-indol-3-yl)-1-hydroxy-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione?
3-(5-bromo-1H-indol-3-yl)-1-hydroxy-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione has a molecular weight of 372.18 g/mol, XLogP of 2.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1H-indol-3-yl)-1-hydroxy-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 23651156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).