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

C11H18N2O2 — CID 25198234

IUPAC6-butyl-2,2-dimethyl-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCCCCN1C(=O)NC2(CC2(C)C)C1=O
InChIInChI=1S/C11H18N2O2/c1-4-5-6-13-8(14)11(12-9(13)15)7-10(11,2)3/h4-7H2,1-3H3,(H,12,15)
InChIKeyPLRDXBKPQKGODJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.51
Rot. Bonds3

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

6-butyl-2,2-dimethyl-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 25198234) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-butyl-2,2-dimethyl-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

Compound Name6-butyl-2,2-dimethyl-4,6-diazaspiro[2.4]heptane-5,7-dione
PubChem CID25198234
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name6-butyl-2,2-dimethyl-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCCCCN1C(=O)NC2(CC2(C)C)C1=O
InChIInChI=1S/C11H18N2O2/c1-4-5-6-13-8(14)11(12-9(13)15)7-10(11,2)3/h4-7H2,1-3H3,(H,12,15)
InChIKeyPLRDXBKPQKGODJ-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
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-butyl-2,2-dimethyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
The IUPAC name of 6-butyl-2,2-dimethyl-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 25198234) is 6-butyl-2,2-dimethyl-4,6-diazaspiro[2.4]heptane-5,7-dione.
What is the SMILES notation for 6-butyl-2,2-dimethyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
The canonical SMILES for 6-butyl-2,2-dimethyl-4,6-diazaspiro[2.4]heptane-5,7-dione is CCCCN1C(=O)NC2(CC2(C)C)C1=O.
What is the InChIKey of 6-butyl-2,2-dimethyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
The InChIKey is PLRDXBKPQKGODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-5-6-13-8(14)11(12-9(13)15)7-10(11,2)3/h4-7H2,1-3H3,(H,12,15).
What are the key properties of 6-butyl-2,2-dimethyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
6-butyl-2,2-dimethyl-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 210.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2,2-dimethyl-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 25198234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).