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

C12H16N2O3 — CID 112599999

IUPAC8-(2,2-dimethylcyclopropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCC1(C)CC1N1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C12H16N2O3/c1-11(2)6-7(11)14-9(16)12(4-3-5-12)8(15)13-10(14)17/h7H,3-6H2,1-2H3,(H,13,15,17)
InChIKeyOUXNWMFFXHANMX-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.03
Rot. Bonds1

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

8-(2,2-dimethylcyclopropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 112599999) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 8-(2,2-dimethylcyclopropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-(2,2-dimethylcyclopropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID112599999
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name8-(2,2-dimethylcyclopropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCC1(C)CC1N1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C12H16N2O3/c1-11(2)6-7(11)14-9(16)12(4-3-5-12)8(15)13-10(14)17/h7H,3-6H2,1-2H3,(H,13,15,17)
InChIKeyOUXNWMFFXHANMX-UHFFFAOYSA-N
XLogP1.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.03
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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Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethylcyclopropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-(2,2-dimethylcyclopropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 112599999) is 8-(2,2-dimethylcyclopropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-(2,2-dimethylcyclopropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-(2,2-dimethylcyclopropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is CC1(C)CC1N1C(=O)NC(=O)C2(CCC2)C1=O.
What is the InChIKey of 8-(2,2-dimethylcyclopropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is OUXNWMFFXHANMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-11(2)6-7(11)14-9(16)12(4-3-5-12)8(15)13-10(14)17/h7H,3-6H2,1-2H3,(H,13,15,17).
What are the key properties of 8-(2,2-dimethylcyclopropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-(2,2-dimethylcyclopropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 236.27 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylcyclopropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 112599999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).