5-phenyl-(411C)1,3-diazolidine-2,4-dione

C9H8N2O2 — CID 90678716

IUPAC5-phenyl-(411C)1,3-diazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)[11C](=O)N1
InChIInChI=1S/C9H8N2O2/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12,13)/i8-1
InChIKeyNXQJDVBMMRCKQG-COJKEBBMSA-N
MW175.18 g/mol
LogP0.57
Rot. Bonds1

About 5-phenyl-(411C)1,3-diazolidine-2,4-dione

5-phenyl-(411C)1,3-diazolidine-2,4-dione (PubChem CID 90678716) has the molecular formula C9H8N2O2 and a molecular weight of 175.18 g/mol. Its IUPAC name is 5-phenyl-(411C)1,3-diazolidine-2,4-dione.

Molecular Properties

Compound Name5-phenyl-(411C)1,3-diazolidine-2,4-dione
PubChem CID90678716
Molecular FormulaC9H8N2O2
Molecular Weight175.18 g/mol
Exact Mass175.07
IUPAC Name5-phenyl-(411C)1,3-diazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)[11C](=O)N1
InChIInChI=1S/C9H8N2O2/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12,13)/i8-1
InChIKeyNXQJDVBMMRCKQG-COJKEBBMSA-N
XLogP0.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-(411C)1,3-diazolidine-2,4-dione?
The IUPAC name of 5-phenyl-(411C)1,3-diazolidine-2,4-dione (CID 90678716) is 5-phenyl-(411C)1,3-diazolidine-2,4-dione.
What is the SMILES notation for 5-phenyl-(411C)1,3-diazolidine-2,4-dione?
The canonical SMILES for 5-phenyl-(411C)1,3-diazolidine-2,4-dione is O=C1NC(c2ccccc2)[11C](=O)N1.
What is the InChIKey of 5-phenyl-(411C)1,3-diazolidine-2,4-dione?
The InChIKey is NXQJDVBMMRCKQG-COJKEBBMSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12,13)/i8-1.
What are the key properties of 5-phenyl-(411C)1,3-diazolidine-2,4-dione?
5-phenyl-(411C)1,3-diazolidine-2,4-dione has a molecular weight of 175.18 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-(411C)1,3-diazolidine-2,4-dione is sourced from PubChem (CID 90678716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).