2-methyl-2,7-diazaspiro[4.5]decane-3,6,8-trione

C9H12N2O3 — CID 146198241

IUPAC2-methyl-2,7-diazaspiro[4.5]decane-3,6,8-trione
SMILESCN1CC2(CCC(=O)NC2=O)CC1=O
InChIInChI=1S/C9H12N2O3/c1-11-5-9(4-7(11)13)3-2-6(12)10-8(9)14/h2-5H2,1H3,(H,10,12,14)
InChIKeyZRMQZBRIJXPKNF-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.73
Rot. Bonds

About 2-methyl-2,7-diazaspiro[4.5]decane-3,6,8-trione

2-methyl-2,7-diazaspiro[4.5]decane-3,6,8-trione (PubChem CID 146198241) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-methyl-2,7-diazaspiro[4.5]decane-3,6,8-trione.

Molecular Properties

Compound Name2-methyl-2,7-diazaspiro[4.5]decane-3,6,8-trione
PubChem CID146198241
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-methyl-2,7-diazaspiro[4.5]decane-3,6,8-trione
SMILESCN1CC2(CCC(=O)NC2=O)CC1=O
InChIInChI=1S/C9H12N2O3/c1-11-5-9(4-7(11)13)3-2-6(12)10-8(9)14/h2-5H2,1H3,(H,10,12,14)
InChIKeyZRMQZBRIJXPKNF-UHFFFAOYSA-N
XLogP-0.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,7-diazaspiro[4.5]decane-3,6,8-trione?
The IUPAC name of 2-methyl-2,7-diazaspiro[4.5]decane-3,6,8-trione (CID 146198241) is 2-methyl-2,7-diazaspiro[4.5]decane-3,6,8-trione.
What is the SMILES notation for 2-methyl-2,7-diazaspiro[4.5]decane-3,6,8-trione?
The canonical SMILES for 2-methyl-2,7-diazaspiro[4.5]decane-3,6,8-trione is CN1CC2(CCC(=O)NC2=O)CC1=O.
What is the InChIKey of 2-methyl-2,7-diazaspiro[4.5]decane-3,6,8-trione?
The InChIKey is ZRMQZBRIJXPKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11-5-9(4-7(11)13)3-2-6(12)10-8(9)14/h2-5H2,1H3,(H,10,12,14).
What are the key properties of 2-methyl-2,7-diazaspiro[4.5]decane-3,6,8-trione?
2-methyl-2,7-diazaspiro[4.5]decane-3,6,8-trione has a molecular weight of 196.21 g/mol, XLogP of -0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,7-diazaspiro[4.5]decane-3,6,8-trione is sourced from PubChem (CID 146198241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).