8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

C13H20N2O3 — CID 112600986

IUPAC8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCC(C)C(C)CN1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C13H20N2O3/c1-8(2)9(3)7-15-11(17)13(5-4-6-13)10(16)14-12(15)18/h8-9H,4-7H2,1-3H3,(H,14,16,18)
InChIKeyHSRMKVHXUZMKFH-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.53
Rot. Bonds3

About 8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 112600986) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID112600986
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCC(C)C(C)CN1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C13H20N2O3/c1-8(2)9(3)7-15-11(17)13(5-4-6-13)10(16)14-12(15)18/h8-9H,4-7H2,1-3H3,(H,14,16,18)
InChIKeyHSRMKVHXUZMKFH-UHFFFAOYSA-N
XLogP1.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115949090
8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 102702120
9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599987
4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 115947356
7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115947575
8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 104767891
7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598884
8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599614
8-(2-pyrrolidin-1-ylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600452
9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112598654
N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide
CID 106338301
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 112600986) is 8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is CC(C)C(C)CN1C(=O)NC(=O)C2(CCC2)C1=O.
What is the InChIKey of 8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is HSRMKVHXUZMKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)9(3)7-15-11(17)13(5-4-6-13)10(16)14-12(15)18/h8-9H,4-7H2,1-3H3,(H,14,16,18).
What are the key properties of 8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 252.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 112600986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).