3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione

C13H22N2O2 — CID 64883688

IUPAC3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC(C)C1NC(=O)C2(CCCCC2)NC1=O
InChIInChI=1S/C13H22N2O2/c1-3-9(2)10-11(16)15-13(12(17)14-10)7-5-4-6-8-13/h9-10H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyFHZNTFJWYSQHDC-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.35
Rot. Bonds2

About 3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione

3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64883688) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64883688
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC(C)C1NC(=O)C2(CCCCC2)NC1=O
InChIInChI=1S/C13H22N2O2/c1-3-9(2)10-11(16)15-13(12(17)14-10)7-5-4-6-8-13/h9-10H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyFHZNTFJWYSQHDC-UHFFFAOYSA-N
XLogP1.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64883688) is 3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione is CCC(C)C1NC(=O)C2(CCCCC2)NC1=O.
What is the InChIKey of 3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is FHZNTFJWYSQHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-9(2)10-11(16)15-13(12(17)14-10)7-5-4-6-8-13/h9-10H,3-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64883688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).