2-butyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione

C10H16N2O2 — CID 46933614

IUPAC2-butyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCCCCC1CC12NC(=O)N(C)C2=O
InChIInChI=1S/C10H16N2O2/c1-3-4-5-7-6-10(7)8(13)12(2)9(14)11-10/h7H,3-6H2,1-2H3,(H,11,14)
InChIKeyALFXYOAMMZKSFV-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.12
Rot. Bonds3

About 2-butyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione

2-butyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 46933614) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-butyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

Compound Name2-butyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione
PubChem CID46933614
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-butyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCCCCC1CC12NC(=O)N(C)C2=O
InChIInChI=1S/C10H16N2O2/c1-3-4-5-7-6-10(7)8(13)12(2)9(14)11-10/h7H,3-6H2,1-2H3,(H,11,14)
InChIKeyALFXYOAMMZKSFV-UHFFFAOYSA-N
XLogP1.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.12
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 2-butyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
The IUPAC name of 2-butyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 46933614) is 2-butyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione.
What is the SMILES notation for 2-butyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
The canonical SMILES for 2-butyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione is CCCCC1CC12NC(=O)N(C)C2=O.
What is the InChIKey of 2-butyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
The InChIKey is ALFXYOAMMZKSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-4-5-7-6-10(7)8(13)12(2)9(14)11-10/h7H,3-6H2,1-2H3,(H,11,14).
What are the key properties of 2-butyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
2-butyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 196.25 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 46933614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).