2-ethenyl-5,7-dimethyl-5,7-diazaspiro[2.5]octane-4,6,8-trione

C10H12N2O3 — CID 138966561

IUPAC2-ethenyl-5,7-dimethyl-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESC=CC1CC12C(=O)N(C)C(=O)N(C)C2=O
InChIInChI=1S/C10H12N2O3/c1-4-6-5-10(6)7(13)11(2)9(15)12(3)8(10)14/h4,6H,1,5H2,2-3H3
InChIKeyMSYWEYSOYWTGDJ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.23
Rot. Bonds1

About 2-ethenyl-5,7-dimethyl-5,7-diazaspiro[2.5]octane-4,6,8-trione

2-ethenyl-5,7-dimethyl-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 138966561) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-ethenyl-5,7-dimethyl-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name2-ethenyl-5,7-dimethyl-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID138966561
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-ethenyl-5,7-dimethyl-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESC=CC1CC12C(=O)N(C)C(=O)N(C)C2=O
InChIInChI=1S/C10H12N2O3/c1-4-6-5-10(6)7(13)11(2)9(15)12(3)8(10)14/h4,6H,1,5H2,2-3H3
InChIKeyMSYWEYSOYWTGDJ-UHFFFAOYSA-N
XLogP0.23
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5,7-dimethyl-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 2-ethenyl-5,7-dimethyl-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 138966561) is 2-ethenyl-5,7-dimethyl-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 2-ethenyl-5,7-dimethyl-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 2-ethenyl-5,7-dimethyl-5,7-diazaspiro[2.5]octane-4,6,8-trione is C=CC1CC12C(=O)N(C)C(=O)N(C)C2=O.
What is the InChIKey of 2-ethenyl-5,7-dimethyl-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is MSYWEYSOYWTGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-4-6-5-10(6)7(13)11(2)9(15)12(3)8(10)14/h4,6H,1,5H2,2-3H3.
What are the key properties of 2-ethenyl-5,7-dimethyl-5,7-diazaspiro[2.5]octane-4,6,8-trione?
2-ethenyl-5,7-dimethyl-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 208.22 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5,7-dimethyl-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 138966561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).