6-methyl-2-(2-methylpropyl)-4,6-diazaspiro[2.4]heptane-5,7-dione

C10H16N2O2 — CID 46933764

IUPAC6-methyl-2-(2-methylpropyl)-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCC(C)CC1CC12NC(=O)N(C)C2=O
InChIInChI=1S/C10H16N2O2/c1-6(2)4-7-5-10(7)8(13)12(3)9(14)11-10/h6-7H,4-5H2,1-3H3,(H,11,14)
InChIKeyIMCJCOLKWBUXMZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.97
Rot. Bonds2

About 6-methyl-2-(2-methylpropyl)-4,6-diazaspiro[2.4]heptane-5,7-dione

6-methyl-2-(2-methylpropyl)-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 46933764) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpropyl)-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

Compound Name6-methyl-2-(2-methylpropyl)-4,6-diazaspiro[2.4]heptane-5,7-dione
PubChem CID46933764
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name6-methyl-2-(2-methylpropyl)-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCC(C)CC1CC12NC(=O)N(C)C2=O
InChIInChI=1S/C10H16N2O2/c1-6(2)4-7-5-10(7)8(13)12(3)9(14)11-10/h6-7H,4-5H2,1-3H3,(H,11,14)
InChIKeyIMCJCOLKWBUXMZ-UHFFFAOYSA-N
XLogP0.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.97
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 6-methyl-2-(2-methylpropyl)-4,6-diazaspiro[2.4]heptane-5,7-dione?
The IUPAC name of 6-methyl-2-(2-methylpropyl)-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 46933764) is 6-methyl-2-(2-methylpropyl)-4,6-diazaspiro[2.4]heptane-5,7-dione.
What is the SMILES notation for 6-methyl-2-(2-methylpropyl)-4,6-diazaspiro[2.4]heptane-5,7-dione?
The canonical SMILES for 6-methyl-2-(2-methylpropyl)-4,6-diazaspiro[2.4]heptane-5,7-dione is CC(C)CC1CC12NC(=O)N(C)C2=O.
What is the InChIKey of 6-methyl-2-(2-methylpropyl)-4,6-diazaspiro[2.4]heptane-5,7-dione?
The InChIKey is IMCJCOLKWBUXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(2)4-7-5-10(7)8(13)12(3)9(14)11-10/h6-7H,4-5H2,1-3H3,(H,11,14).
What are the key properties of 6-methyl-2-(2-methylpropyl)-4,6-diazaspiro[2.4]heptane-5,7-dione?
6-methyl-2-(2-methylpropyl)-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 196.25 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpropyl)-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 46933764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).