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

C11H16N2O4 — CID 102702120

IUPAC8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCOC(C)CN1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C11H16N2O4/c1-7(17-2)6-13-9(15)11(4-3-5-11)8(14)12-10(13)16/h7H,3-6H2,1-2H3,(H,12,14,16)
InChIKeyJALNUFGWAVCQEX-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.27
Rot. Bonds3

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

8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 102702120) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID102702120
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCOC(C)CN1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C11H16N2O4/c1-7(17-2)6-13-9(15)11(4-3-5-11)8(14)12-10(13)16/h7H,3-6H2,1-2H3,(H,12,14,16)
InChIKeyJALNUFGWAVCQEX-UHFFFAOYSA-N
XLogP0.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600986
9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115949090
9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599987
8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 104767891
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
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599761
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
4-prop-2-ynyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 112599528
8-(2-pyrrolidin-1-ylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600452

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 102702120) is 8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is COC(C)CN1C(=O)NC(=O)C2(CCC2)C1=O.
What is the InChIKey of 8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is JALNUFGWAVCQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(17-2)6-13-9(15)11(4-3-5-11)8(14)12-10(13)16/h7H,3-6H2,1-2H3,(H,12,14,16).
What are the key properties of 8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 240.26 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 102702120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).