1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione

C12H20N2O2 — CID 53388991

IUPAC1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione
SMILESCN1CC(=O)NC(=O)C12CCCCCCC2
InChIInChI=1S/C12H20N2O2/c1-14-9-10(15)13-11(16)12(14)7-5-3-2-4-6-8-12/h2-9H2,1H3,(H,13,15,16)
InChIKeyYXYSXPMVXNUEAJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.06
Rot. Bonds

About 1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione

1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione (PubChem CID 53388991) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione.

Molecular Properties

Compound Name1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione
PubChem CID53388991
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione
SMILESCN1CC(=O)NC(=O)C12CCCCCCC2
InChIInChI=1S/C12H20N2O2/c1-14-9-10(15)13-11(16)12(14)7-5-3-2-4-6-8-12/h2-9H2,1H3,(H,13,15,16)
InChIKeyYXYSXPMVXNUEAJ-UHFFFAOYSA-N
XLogP1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione
CID 130597226
1-methyl-1-azaspiro[4.6]undecan-4-one
CID 18468802
2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.6]dodecan-4-yl)acetic acid
CID 53389145
6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one
CID 70667172
ethane;1-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 144964545
1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 113474380
1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 83168970
1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 113437173
1-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130008709
1-(2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 107914237
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 104567461
8-cyclohexyl-6-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885846

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione?
The IUPAC name of 1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione (CID 53388991) is 1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione.
What is the SMILES notation for 1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione?
The canonical SMILES for 1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione is CN1CC(=O)NC(=O)C12CCCCCCC2.
What is the InChIKey of 1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione?
The InChIKey is YXYSXPMVXNUEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14-9-10(15)13-11(16)12(14)7-5-3-2-4-6-8-12/h2-9H2,1H3,(H,13,15,16).
What are the key properties of 1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione?
1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione has a molecular weight of 224.30 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione is sourced from PubChem (CID 53388991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).