2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione

C5H6N2O3 — CID 19811070

IUPAC2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC(=O)C2(COC2)N1
InChIInChI=1S/C5H6N2O3/c8-3-5(1-10-2-5)7-4(9)6-3/h1-2H2,(H2,6,7,8,9)
InChIKeyMNAPYPBKKRUAQR-UHFFFAOYSA-N
MW142.11 g/mol
LogP-1.41
Rot. Bonds

About 2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione

2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 19811070) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID19811070
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC(=O)C2(COC2)N1
InChIInChI=1S/C5H6N2O3/c8-3-5(1-10-2-5)7-4(9)6-3/h1-2H2,(H2,6,7,8,9)
InChIKeyMNAPYPBKKRUAQR-UHFFFAOYSA-N
XLogP-1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione (CID 19811070) is 2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione is O=C1NC(=O)C2(COC2)N1.
What is the InChIKey of 2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is MNAPYPBKKRUAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c8-3-5(1-10-2-5)7-4(9)6-3/h1-2H2,(H2,6,7,8,9).
What are the key properties of 2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione?
2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 142.11 g/mol, XLogP of -1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 19811070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).