3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione

C13H22N2O2 — CID 64886456

IUPAC3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC1(C)NC(=O)C2(CCCCC2)N(C)C1=O
InChIInChI=1S/C13H22N2O2/c1-4-12(2)11(17)15(3)13(10(16)14-12)8-6-5-7-9-13/h4-9H2,1-3H3,(H,14,16)
InChIKeyBNBVZEMKIUVGFT-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.45
Rot. Bonds1

About 3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione

3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64886456) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64886456
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC1(C)NC(=O)C2(CCCCC2)N(C)C1=O
InChIInChI=1S/C13H22N2O2/c1-4-12(2)11(17)15(3)13(10(16)14-12)8-6-5-7-9-13/h4-9H2,1-3H3,(H,14,16)
InChIKeyBNBVZEMKIUVGFT-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64886456) is 3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione is CCC1(C)NC(=O)C2(CCCCC2)N(C)C1=O.
What is the InChIKey of 3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is BNBVZEMKIUVGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-12(2)11(17)15(3)13(10(16)14-12)8-6-5-7-9-13/h4-9H2,1-3H3,(H,14,16).
What are the key properties of 3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64886456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).