1-phenyldiazinane-3,6-dione

C10H10N2O2 — CID 2797435

IUPAC1-phenyldiazinane-3,6-dione
SMILESO=C1CCC(=O)N(c2ccccc2)N1
InChIInChI=1S/C10H10N2O2/c13-9-6-7-10(14)12(11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,13)
InChIKeyLVGKXNPVUJDONV-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.84
Rot. Bonds1

About 1-phenyldiazinane-3,6-dione

1-phenyldiazinane-3,6-dione (PubChem CID 2797435) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-phenyldiazinane-3,6-dione.

Molecular Properties

Compound Name1-phenyldiazinane-3,6-dione
PubChem CID2797435
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-phenyldiazinane-3,6-dione
SMILESO=C1CCC(=O)N(c2ccccc2)N1
InChIInChI=1S/C10H10N2O2/c13-9-6-7-10(14)12(11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,13)
InChIKeyLVGKXNPVUJDONV-UHFFFAOYSA-N
XLogP0.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyldiazinane-3,6-dione?
The IUPAC name of 1-phenyldiazinane-3,6-dione (CID 2797435) is 1-phenyldiazinane-3,6-dione.
What is the SMILES notation for 1-phenyldiazinane-3,6-dione?
The canonical SMILES for 1-phenyldiazinane-3,6-dione is O=C1CCC(=O)N(c2ccccc2)N1.
What is the InChIKey of 1-phenyldiazinane-3,6-dione?
The InChIKey is LVGKXNPVUJDONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-9-6-7-10(14)12(11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,13).
What are the key properties of 1-phenyldiazinane-3,6-dione?
1-phenyldiazinane-3,6-dione has a molecular weight of 190.20 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyldiazinane-3,6-dione is sourced from PubChem (CID 2797435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).