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

C14H20N2O3 — CID 112600000

IUPAC4-(2,2-dimethylcyclopropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESCC1(C)CC1N1C(=O)NC(=O)C2(CCCCC2)C1=O
InChIInChI=1S/C14H20N2O3/c1-13(2)8-9(13)16-11(18)14(6-4-3-5-7-14)10(17)15-12(16)19/h9H,3-8H2,1-2H3,(H,15,17,19)
InChIKeyAMWGSQXZLFQOKQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.81
Rot. Bonds1

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

4-(2,2-dimethylcyclopropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione (PubChem CID 112600000) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(2,2-dimethylcyclopropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione.

Molecular Properties

Compound Name4-(2,2-dimethylcyclopropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
PubChem CID112600000
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-(2,2-dimethylcyclopropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESCC1(C)CC1N1C(=O)NC(=O)C2(CCCCC2)C1=O
InChIInChI=1S/C14H20N2O3/c1-13(2)8-9(13)16-11(18)14(6-4-3-5-7-14)10(17)15-12(16)19/h9H,3-8H2,1-2H3,(H,15,17,19)
InChIKeyAMWGSQXZLFQOKQ-UHFFFAOYSA-N
XLogP1.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.81
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 4-(2,2-dimethylcyclopropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The IUPAC name of 4-(2,2-dimethylcyclopropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione (CID 112600000) is 4-(2,2-dimethylcyclopropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione.
What is the SMILES notation for 4-(2,2-dimethylcyclopropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The canonical SMILES for 4-(2,2-dimethylcyclopropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione is CC1(C)CC1N1C(=O)NC(=O)C2(CCCCC2)C1=O.
What is the InChIKey of 4-(2,2-dimethylcyclopropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The InChIKey is AMWGSQXZLFQOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-13(2)8-9(13)16-11(18)14(6-4-3-5-7-14)10(17)15-12(16)19/h9H,3-8H2,1-2H3,(H,15,17,19).
What are the key properties of 4-(2,2-dimethylcyclopropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
4-(2,2-dimethylcyclopropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione has a molecular weight of 264.32 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylcyclopropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione is sourced from PubChem (CID 112600000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).