9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

C14H22N2O3 — CID 112599241

IUPAC9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCC(C)CC(C)N1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C14H22N2O3/c1-9(2)8-10(3)16-12(18)14(6-4-5-7-14)11(17)15-13(16)19/h9-10H,4-8H2,1-3H3,(H,15,17,19)
InChIKeyDNTPQNQPLVGENS-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.06
Rot. Bonds3

About 9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 112599241) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID112599241
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCC(C)CC(C)N1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C14H22N2O3/c1-9(2)8-10(3)16-12(18)14(6-4-5-7-14)11(17)15-13(16)19/h9-10H,4-8H2,1-3H3,(H,15,17,19)
InChIKeyDNTPQNQPLVGENS-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.06
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

4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598786
9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947707
4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115948275
9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112598654
methyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate
CID 115947447
4-but-3-yn-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 114421001
9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947597
9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948163
2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide
CID 112599394
7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600943
9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947250
8-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115947529

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 112599241) is 9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is CC(C)CC(C)N1C(=O)NC(=O)C2(CCCC2)C1=O.
What is the InChIKey of 9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is DNTPQNQPLVGENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)8-10(3)16-12(18)14(6-4-5-7-14)11(17)15-13(16)19/h9-10H,4-8H2,1-3H3,(H,15,17,19).
What are the key properties of 9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 266.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 112599241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).