5,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione

C15H26N2O2 — CID 79321146

IUPAC5,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione
SMILESCC(C)C1C(=O)NC(=O)CC12CCN(C(C)C)CC2
InChIInChI=1S/C15H26N2O2/c1-10(2)13-14(19)16-12(18)9-15(13)5-7-17(8-6-15)11(3)4/h10-11,13H,5-9H2,1-4H3,(H,16,18,19)
InChIKeyBYIONGNNKMEELZ-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.80
Rot. Bonds2

About 5,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione

5,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione (PubChem CID 79321146) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name5,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione
PubChem CID79321146
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name5,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione
SMILESCC(C)C1C(=O)NC(=O)CC12CCN(C(C)C)CC2
InChIInChI=1S/C15H26N2O2/c1-10(2)13-14(19)16-12(18)9-15(13)5-7-17(8-6-15)11(3)4/h10-11,13H,5-9H2,1-4H3,(H,16,18,19)
InChIKeyBYIONGNNKMEELZ-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 5,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione (CID 79321146) is 5,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 5,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 5,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione is CC(C)C1C(=O)NC(=O)CC12CCN(C(C)C)CC2.
What is the InChIKey of 5,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione?
The InChIKey is BYIONGNNKMEELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(2)13-14(19)16-12(18)9-15(13)5-7-17(8-6-15)11(3)4/h10-11,13H,5-9H2,1-4H3,(H,16,18,19).
What are the key properties of 5,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione?
5,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione has a molecular weight of 266.38 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 79321146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).