spiro[1,3-benzodioxole-2,4'-diazinane]-3',6'-dione

C10H8N2O4 — CID 753908

IUPACspiro[1,3-benzodioxole-2,4'-diazinane]-3',6'-dione
SMILESO=C1CC2(Oc3ccccc3O2)C(=O)NN1
InChIInChI=1S/C10H8N2O4/c13-8-5-10(9(14)12-11-8)15-6-3-1-2-4-7(6)16-10/h1-4H,5H2,(H,11,13)(H,12,14)
InChIKeyVASUTEHXLHJYKU-UHFFFAOYSA-N
MW220.18 g/mol
LogP-0.29
Rot. Bonds

About spiro[1,3-benzodioxole-2,4'-diazinane]-3',6'-dione

spiro[1,3-benzodioxole-2,4'-diazinane]-3',6'-dione (PubChem CID 753908) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is spiro[1,3-benzodioxole-2,4'-diazinane]-3',6'-dione.

Molecular Properties

Compound Namespiro[1,3-benzodioxole-2,4'-diazinane]-3',6'-dione
PubChem CID753908
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Namespiro[1,3-benzodioxole-2,4'-diazinane]-3',6'-dione
SMILESO=C1CC2(Oc3ccccc3O2)C(=O)NN1
InChIInChI=1S/C10H8N2O4/c13-8-5-10(9(14)12-11-8)15-6-3-1-2-4-7(6)16-10/h1-4H,5H2,(H,11,13)(H,12,14)
InChIKeyVASUTEHXLHJYKU-UHFFFAOYSA-N
XLogP-0.29
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-benzodioxole-2,4'-diazinane]-3',6'-dione?
The IUPAC name of spiro[1,3-benzodioxole-2,4'-diazinane]-3',6'-dione (CID 753908) is spiro[1,3-benzodioxole-2,4'-diazinane]-3',6'-dione.
What is the SMILES notation for spiro[1,3-benzodioxole-2,4'-diazinane]-3',6'-dione?
The canonical SMILES for spiro[1,3-benzodioxole-2,4'-diazinane]-3',6'-dione is O=C1CC2(Oc3ccccc3O2)C(=O)NN1.
What is the InChIKey of spiro[1,3-benzodioxole-2,4'-diazinane]-3',6'-dione?
The InChIKey is VASUTEHXLHJYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-8-5-10(9(14)12-11-8)15-6-3-1-2-4-7(6)16-10/h1-4H,5H2,(H,11,13)(H,12,14).
What are the key properties of spiro[1,3-benzodioxole-2,4'-diazinane]-3',6'-dione?
spiro[1,3-benzodioxole-2,4'-diazinane]-3',6'-dione has a molecular weight of 220.18 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-benzodioxole-2,4'-diazinane]-3',6'-dione is sourced from PubChem (CID 753908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).