2-(5-hydroxy-2-oxo-1H-imidazol-3-yl)isoindole-1,3-dione

C11H7N3O4 — CID 54093547

IUPAC2-(5-hydroxy-2-oxo-1H-imidazol-3-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1n1cc(O)[nH]c1=O
InChIInChI=1S/C11H7N3O4/c15-8-5-13(11(18)12-8)14-9(16)6-3-1-2-4-7(6)10(14)17/h1-5,15H,(H,12,18)
InChIKeyMVNMHBVWNYGVEN-UHFFFAOYSA-N
MW245.19 g/mol
LogP-0.19
Rot. Bonds1

About 2-(5-hydroxy-2-oxo-1H-imidazol-3-yl)isoindole-1,3-dione

2-(5-hydroxy-2-oxo-1H-imidazol-3-yl)isoindole-1,3-dione (PubChem CID 54093547) has the molecular formula C11H7N3O4 and a molecular weight of 245.19 g/mol. Its IUPAC name is 2-(5-hydroxy-2-oxo-1H-imidazol-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-hydroxy-2-oxo-1H-imidazol-3-yl)isoindole-1,3-dione
PubChem CID54093547
Molecular FormulaC11H7N3O4
Molecular Weight245.19 g/mol
Exact Mass245.04
IUPAC Name2-(5-hydroxy-2-oxo-1H-imidazol-3-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1n1cc(O)[nH]c1=O
InChIInChI=1S/C11H7N3O4/c15-8-5-13(11(18)12-8)14-9(16)6-3-1-2-4-7(6)10(14)17/h1-5,15H,(H,12,18)
InChIKeyMVNMHBVWNYGVEN-UHFFFAOYSA-N
XLogP-0.19
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2-oxo-1H-imidazol-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(5-hydroxy-2-oxo-1H-imidazol-3-yl)isoindole-1,3-dione (CID 54093547) is 2-(5-hydroxy-2-oxo-1H-imidazol-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(5-hydroxy-2-oxo-1H-imidazol-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(5-hydroxy-2-oxo-1H-imidazol-3-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1n1cc(O)[nH]c1=O.
What is the InChIKey of 2-(5-hydroxy-2-oxo-1H-imidazol-3-yl)isoindole-1,3-dione?
The InChIKey is MVNMHBVWNYGVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O4/c15-8-5-13(11(18)12-8)14-9(16)6-3-1-2-4-7(6)10(14)17/h1-5,15H,(H,12,18).
What are the key properties of 2-(5-hydroxy-2-oxo-1H-imidazol-3-yl)isoindole-1,3-dione?
2-(5-hydroxy-2-oxo-1H-imidazol-3-yl)isoindole-1,3-dione has a molecular weight of 245.19 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2-oxo-1H-imidazol-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 54093547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).