1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione

C8H12N2O2 — CID 43840157

IUPAC1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCN1C(=O)NC(=O)C12CCCC2
InChIInChI=1S/C8H12N2O2/c1-10-7(12)9-6(11)8(10)4-2-3-5-8/h2-5H2,1H3,(H,9,11,12)
InChIKeyNWIWGGCNGWUUQU-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.48
Rot. Bonds

About 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione

1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 43840157) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID43840157
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCN1C(=O)NC(=O)C12CCCC2
InChIInChI=1S/C8H12N2O2/c1-10-7(12)9-6(11)8(10)4-2-3-5-8/h2-5H2,1H3,(H,9,11,12)
InChIKeyNWIWGGCNGWUUQU-UHFFFAOYSA-N
XLogP0.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 43840157) is 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione is CN1C(=O)NC(=O)C12CCCC2.
What is the InChIKey of 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is NWIWGGCNGWUUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-10-7(12)9-6(11)8(10)4-2-3-5-8/h2-5H2,1H3,(H,9,11,12).
What are the key properties of 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 43840157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).