6-methyl-2-pentan-3-yl-4,6-diazaspiro[2.4]heptane-5,7-dione

C11H18N2O2 — CID 46933765

IUPAC6-methyl-2-pentan-3-yl-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCCC(CC)C1CC12NC(=O)N(C)C2=O
InChIInChI=1S/C11H18N2O2/c1-4-7(5-2)8-6-11(8)9(14)13(3)10(15)12-11/h7-8H,4-6H2,1-3H3,(H,12,15)
InChIKeyKTOHUWTYVYAIPZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.36
Rot. Bonds3

About 6-methyl-2-pentan-3-yl-4,6-diazaspiro[2.4]heptane-5,7-dione

6-methyl-2-pentan-3-yl-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 46933765) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-methyl-2-pentan-3-yl-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

Compound Name6-methyl-2-pentan-3-yl-4,6-diazaspiro[2.4]heptane-5,7-dione
PubChem CID46933765
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name6-methyl-2-pentan-3-yl-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCCC(CC)C1CC12NC(=O)N(C)C2=O
InChIInChI=1S/C11H18N2O2/c1-4-7(5-2)8-6-11(8)9(14)13(3)10(15)12-11/h7-8H,4-6H2,1-3H3,(H,12,15)
InChIKeyKTOHUWTYVYAIPZ-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-2-pentan-3-yl-4,6-diazaspiro[2.4]heptane-5,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pentan-3-yl-4,6-diazaspiro[2.4]heptane-5,7-dione?
The IUPAC name of 6-methyl-2-pentan-3-yl-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 46933765) is 6-methyl-2-pentan-3-yl-4,6-diazaspiro[2.4]heptane-5,7-dione.
What is the SMILES notation for 6-methyl-2-pentan-3-yl-4,6-diazaspiro[2.4]heptane-5,7-dione?
The canonical SMILES for 6-methyl-2-pentan-3-yl-4,6-diazaspiro[2.4]heptane-5,7-dione is CCC(CC)C1CC12NC(=O)N(C)C2=O.
What is the InChIKey of 6-methyl-2-pentan-3-yl-4,6-diazaspiro[2.4]heptane-5,7-dione?
The InChIKey is KTOHUWTYVYAIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-7(5-2)8-6-11(8)9(14)13(3)10(15)12-11/h7-8H,4-6H2,1-3H3,(H,12,15).
What are the key properties of 6-methyl-2-pentan-3-yl-4,6-diazaspiro[2.4]heptane-5,7-dione?
6-methyl-2-pentan-3-yl-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 210.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pentan-3-yl-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 46933765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).