6-hydroxy-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C12H12N2O3 — CID 2767064

IUPAC6-hydroxy-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2CC(O)CN2C(=O)N1c1ccccc1
InChIInChI=1S/C12H12N2O3/c15-9-6-10-11(16)14(12(17)13(10)7-9)8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2
InChIKeyPGKNRKPWUGXOKM-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.59
Rot. Bonds1

About 6-hydroxy-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

6-hydroxy-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 2767064) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-hydroxy-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name6-hydroxy-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID2767064
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name6-hydroxy-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2CC(O)CN2C(=O)N1c1ccccc1
InChIInChI=1S/C12H12N2O3/c15-9-6-10-11(16)14(12(17)13(10)7-9)8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2
InChIKeyPGKNRKPWUGXOKM-UHFFFAOYSA-N
XLogP0.59
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 6-hydroxy-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 2767064) is 6-hydroxy-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 6-hydroxy-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 6-hydroxy-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is O=C1C2CC(O)CN2C(=O)N1c1ccccc1.
What is the InChIKey of 6-hydroxy-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is PGKNRKPWUGXOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-9-6-10-11(16)14(12(17)13(10)7-9)8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2.
What are the key properties of 6-hydroxy-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
6-hydroxy-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 232.24 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 2767064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).