6-phenyl-1,3-diazepane-2,4-dione

C11H12N2O2 — CID 12795443

IUPAC6-phenyl-1,3-diazepane-2,4-dione
SMILESO=C1CC(c2ccccc2)CNC(=O)N1
InChIInChI=1S/C11H12N2O2/c14-10-6-9(7-12-11(15)13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,13,14,15)
InChIKeyCWIUUQKGMRBQAA-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.00
Rot. Bonds1

About 6-phenyl-1,3-diazepane-2,4-dione

6-phenyl-1,3-diazepane-2,4-dione (PubChem CID 12795443) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-phenyl-1,3-diazepane-2,4-dione.

Molecular Properties

Compound Name6-phenyl-1,3-diazepane-2,4-dione
PubChem CID12795443
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name6-phenyl-1,3-diazepane-2,4-dione
SMILESO=C1CC(c2ccccc2)CNC(=O)N1
InChIInChI=1S/C11H12N2O2/c14-10-6-9(7-12-11(15)13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,13,14,15)
InChIKeyCWIUUQKGMRBQAA-UHFFFAOYSA-N
XLogP1.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1,3-diazepane-2,4-dione?
The IUPAC name of 6-phenyl-1,3-diazepane-2,4-dione (CID 12795443) is 6-phenyl-1,3-diazepane-2,4-dione.
What is the SMILES notation for 6-phenyl-1,3-diazepane-2,4-dione?
The canonical SMILES for 6-phenyl-1,3-diazepane-2,4-dione is O=C1CC(c2ccccc2)CNC(=O)N1.
What is the InChIKey of 6-phenyl-1,3-diazepane-2,4-dione?
The InChIKey is CWIUUQKGMRBQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-10-6-9(7-12-11(15)13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,13,14,15).
What are the key properties of 6-phenyl-1,3-diazepane-2,4-dione?
6-phenyl-1,3-diazepane-2,4-dione has a molecular weight of 204.23 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1,3-diazepane-2,4-dione is sourced from PubChem (CID 12795443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).