4-(2-bicyclo[2.2.1]heptanyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione

C16H22N2O3 — CID 115948429

IUPAC4-(2-bicyclo[2.2.1]heptanyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESO=C1NC(=O)C2(CCCCC2)C(=O)N1C1CC2CCC1C2
InChIInChI=1S/C16H22N2O3/c19-13-16(6-2-1-3-7-16)14(20)18(15(21)17-13)12-9-10-4-5-11(12)8-10/h10-12H,1-9H2,(H,17,19,21)
InChIKeyBBPPPGWJFJEZTH-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.20
Rot. Bonds1

About 4-(2-bicyclo[2.2.1]heptanyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione

4-(2-bicyclo[2.2.1]heptanyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione (PubChem CID 115948429) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
PubChem CID115948429
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(2-bicyclo[2.2.1]heptanyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESO=C1NC(=O)C2(CCCCC2)C(=O)N1C1CC2CCC1C2
InChIInChI=1S/C16H22N2O3/c19-13-16(6-2-1-3-7-16)14(20)18(15(21)17-13)12-9-10-4-5-11(12)8-10/h10-12H,1-9H2,(H,17,19,21)
InChIKeyBBPPPGWJFJEZTH-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.20
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-bicyclo[2.2.1]heptanyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione (CID 115948429) is 4-(2-bicyclo[2.2.1]heptanyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione is O=C1NC(=O)C2(CCCCC2)C(=O)N1C1CC2CCC1C2.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The InChIKey is BBPPPGWJFJEZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-13-16(6-2-1-3-7-16)14(20)18(15(21)17-13)12-9-10-4-5-11(12)8-10/h10-12H,1-9H2,(H,17,19,21).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
4-(2-bicyclo[2.2.1]heptanyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione has a molecular weight of 290.36 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione is sourced from PubChem (CID 115948429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).