5,6-dichloro-1,3-diazinane-2,4-dione

C4H4Cl2N2O2 — CID 45035550

IUPAC5,6-dichloro-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)C(Cl)C(Cl)N1
InChIInChI=1S/C4H4Cl2N2O2/c5-1-2(6)7-4(10)8-3(1)9/h1-2H,(H2,7,8,9,10)
InChIKeyUSFRCYUQIFHBMN-UHFFFAOYSA-N
MW182.99 g/mol
LogP-0.00
Rot. Bonds

About 5,6-dichloro-1,3-diazinane-2,4-dione

5,6-dichloro-1,3-diazinane-2,4-dione (PubChem CID 45035550) has the molecular formula C4H4Cl2N2O2 and a molecular weight of 182.99 g/mol. Its IUPAC name is 5,6-dichloro-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5,6-dichloro-1,3-diazinane-2,4-dione
PubChem CID45035550
Molecular FormulaC4H4Cl2N2O2
Molecular Weight182.99 g/mol
Exact Mass181.96
IUPAC Name5,6-dichloro-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)C(Cl)C(Cl)N1
InChIInChI=1S/C4H4Cl2N2O2/c5-1-2(6)7-4(10)8-3(1)9/h1-2H,(H2,7,8,9,10)
InChIKeyUSFRCYUQIFHBMN-UHFFFAOYSA-N
XLogP-0.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.99
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1,3-diazinane-2,4-dione?
The IUPAC name of 5,6-dichloro-1,3-diazinane-2,4-dione (CID 45035550) is 5,6-dichloro-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5,6-dichloro-1,3-diazinane-2,4-dione?
The canonical SMILES for 5,6-dichloro-1,3-diazinane-2,4-dione is O=C1NC(=O)C(Cl)C(Cl)N1.
What is the InChIKey of 5,6-dichloro-1,3-diazinane-2,4-dione?
The InChIKey is USFRCYUQIFHBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2N2O2/c5-1-2(6)7-4(10)8-3(1)9/h1-2H,(H2,7,8,9,10).
What are the key properties of 5,6-dichloro-1,3-diazinane-2,4-dione?
5,6-dichloro-1,3-diazinane-2,4-dione has a molecular weight of 182.99 g/mol, XLogP of -0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1,3-diazinane-2,4-dione is sourced from PubChem (CID 45035550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).