3-butyl-1,4-dimethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione

C14H22N2O3 — CID 21119387

IUPAC3-butyl-1,4-dimethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCCCCC1CC(C)C2(C(=O)NC(=O)NC2=O)C1C
InChIInChI=1S/C14H22N2O3/c1-4-5-6-10-7-8(2)14(9(10)3)11(17)15-13(19)16-12(14)18/h8-10H,4-7H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyHAPFQQZPVLKXBF-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.82
Rot. Bonds3

About 3-butyl-1,4-dimethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione

3-butyl-1,4-dimethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 21119387) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-butyl-1,4-dimethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name3-butyl-1,4-dimethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID21119387
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-butyl-1,4-dimethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCCCCC1CC(C)C2(C(=O)NC(=O)NC2=O)C1C
InChIInChI=1S/C14H22N2O3/c1-4-5-6-10-7-8(2)14(9(10)3)11(17)15-13(19)16-12(14)18/h8-10H,4-7H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyHAPFQQZPVLKXBF-UHFFFAOYSA-N
XLogP1.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,4-dimethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 3-butyl-1,4-dimethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 21119387) is 3-butyl-1,4-dimethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 3-butyl-1,4-dimethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 3-butyl-1,4-dimethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione is CCCCC1CC(C)C2(C(=O)NC(=O)NC2=O)C1C.
What is the InChIKey of 3-butyl-1,4-dimethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is HAPFQQZPVLKXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-5-6-10-7-8(2)14(9(10)3)11(17)15-13(19)16-12(14)18/h8-10H,4-7H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 3-butyl-1,4-dimethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione?
3-butyl-1,4-dimethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 266.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,4-dimethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 21119387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).