1,3-diacetyl-1,3-diazinane-2,4-dione

C8H10N2O4 — CID 54212586

IUPAC1,3-diacetyl-1,3-diazinane-2,4-dione
SMILESCC(=O)N1CCC(=O)N(C(C)=O)C1=O
InChIInChI=1S/C8H10N2O4/c1-5(11)9-4-3-7(13)10(6(2)12)8(9)14/h3-4H2,1-2H3
InChIKeyPWYNGDRINRWUJW-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.27
Rot. Bonds

About 1,3-diacetyl-1,3-diazinane-2,4-dione

1,3-diacetyl-1,3-diazinane-2,4-dione (PubChem CID 54212586) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1,3-diacetyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,3-diacetyl-1,3-diazinane-2,4-dione
PubChem CID54212586
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name1,3-diacetyl-1,3-diazinane-2,4-dione
SMILESCC(=O)N1CCC(=O)N(C(C)=O)C1=O
InChIInChI=1S/C8H10N2O4/c1-5(11)9-4-3-7(13)10(6(2)12)8(9)14/h3-4H2,1-2H3
InChIKeyPWYNGDRINRWUJW-UHFFFAOYSA-N
XLogP-0.27
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-diacetyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1,3-diacetyl-1,3-diazinane-2,4-dione (CID 54212586) is 1,3-diacetyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,3-diacetyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,3-diacetyl-1,3-diazinane-2,4-dione is CC(=O)N1CCC(=O)N(C(C)=O)C1=O.
What is the InChIKey of 1,3-diacetyl-1,3-diazinane-2,4-dione?
The InChIKey is PWYNGDRINRWUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-5(11)9-4-3-7(13)10(6(2)12)8(9)14/h3-4H2,1-2H3.
What are the key properties of 1,3-diacetyl-1,3-diazinane-2,4-dione?
1,3-diacetyl-1,3-diazinane-2,4-dione has a molecular weight of 198.18 g/mol, XLogP of -0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diacetyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 54212586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).