4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione

C15H22N2O3 — CID 115948275

IUPAC4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESCC(CC1CC1)N1C(=O)NC(=O)C2(CCCCC2)C1=O
InChIInChI=1S/C15H22N2O3/c1-10(9-11-5-6-11)17-13(19)15(7-3-2-4-8-15)12(18)16-14(17)20/h10-11H,2-9H2,1H3,(H,16,18,20)
InChIKeyGWCHRUUODQRFIR-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.20
Rot. Bonds3

About 4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione

4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione (PubChem CID 115948275) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione.

Molecular Properties

Compound Name4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
PubChem CID115948275
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESCC(CC1CC1)N1C(=O)NC(=O)C2(CCCCC2)C1=O
InChIInChI=1S/C15H22N2O3/c1-10(9-11-5-6-11)17-13(19)15(7-3-2-4-8-15)12(18)16-14(17)20/h10-11H,2-9H2,1H3,(H,16,18,20)
InChIKeyGWCHRUUODQRFIR-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.20
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-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948163
9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599241
4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598786
7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600692
9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947707
9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112598654
4-but-3-yn-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 114421001
2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide
CID 112599394
9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947597
7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600943
4-(1-cyclopropylpropan-2-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64971995
4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 115947356

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The IUPAC name of 4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione (CID 115948275) is 4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione.
What is the SMILES notation for 4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The canonical SMILES for 4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione is CC(CC1CC1)N1C(=O)NC(=O)C2(CCCCC2)C1=O.
What is the InChIKey of 4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The InChIKey is GWCHRUUODQRFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(9-11-5-6-11)17-13(19)15(7-3-2-4-8-15)12(18)16-14(17)20/h10-11H,2-9H2,1H3,(H,16,18,20).
What are the key properties of 4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione has a molecular weight of 278.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione is sourced from PubChem (CID 115948275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).