8,10-dimethyl-4-phenyl-1,3,8,10-tetrazaspiro[5.5]undec-3-ene-2,7,9,11-tetrone

C15H14N4O4 — CID 102396174

IUPAC8,10-dimethyl-4-phenyl-1,3,8,10-tetrazaspiro[5.5]undec-3-ene-2,7,9,11-tetrone
SMILESCN1C(=O)N(C)C(=O)C2(CC(c3ccccc3)=NC(=O)N2)C1=O
InChIInChI=1S/C15H14N4O4/c1-18-11(20)15(12(21)19(2)14(18)23)8-10(16-13(22)17-15)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,17,22)
InChIKeyOKCXGJPMDSXXSE-UHFFFAOYSA-N
MW314.30 g/mol
LogP0.38
Rot. Bonds1

About 8,10-dimethyl-4-phenyl-1,3,8,10-tetrazaspiro[5.5]undec-3-ene-2,7,9,11-tetrone

8,10-dimethyl-4-phenyl-1,3,8,10-tetrazaspiro[5.5]undec-3-ene-2,7,9,11-tetrone (PubChem CID 102396174) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 8,10-dimethyl-4-phenyl-1,3,8,10-tetrazaspiro[5.5]undec-3-ene-2,7,9,11-tetrone.

Molecular Properties

Compound Name8,10-dimethyl-4-phenyl-1,3,8,10-tetrazaspiro[5.5]undec-3-ene-2,7,9,11-tetrone
PubChem CID102396174
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name8,10-dimethyl-4-phenyl-1,3,8,10-tetrazaspiro[5.5]undec-3-ene-2,7,9,11-tetrone
SMILESCN1C(=O)N(C)C(=O)C2(CC(c3ccccc3)=NC(=O)N2)C1=O
InChIInChI=1S/C15H14N4O4/c1-18-11(20)15(12(21)19(2)14(18)23)8-10(16-13(22)17-15)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,17,22)
InChIKeyOKCXGJPMDSXXSE-UHFFFAOYSA-N
XLogP0.38
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 8,10-dimethyl-4-phenyl-1,3,8,10-tetrazaspiro[5.5]undec-3-ene-2,7,9,11-tetrone?
The IUPAC name of 8,10-dimethyl-4-phenyl-1,3,8,10-tetrazaspiro[5.5]undec-3-ene-2,7,9,11-tetrone (CID 102396174) is 8,10-dimethyl-4-phenyl-1,3,8,10-tetrazaspiro[5.5]undec-3-ene-2,7,9,11-tetrone.
What is the SMILES notation for 8,10-dimethyl-4-phenyl-1,3,8,10-tetrazaspiro[5.5]undec-3-ene-2,7,9,11-tetrone?
The canonical SMILES for 8,10-dimethyl-4-phenyl-1,3,8,10-tetrazaspiro[5.5]undec-3-ene-2,7,9,11-tetrone is CN1C(=O)N(C)C(=O)C2(CC(c3ccccc3)=NC(=O)N2)C1=O.
What is the InChIKey of 8,10-dimethyl-4-phenyl-1,3,8,10-tetrazaspiro[5.5]undec-3-ene-2,7,9,11-tetrone?
The InChIKey is OKCXGJPMDSXXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-18-11(20)15(12(21)19(2)14(18)23)8-10(16-13(22)17-15)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,17,22).
What are the key properties of 8,10-dimethyl-4-phenyl-1,3,8,10-tetrazaspiro[5.5]undec-3-ene-2,7,9,11-tetrone?
8,10-dimethyl-4-phenyl-1,3,8,10-tetrazaspiro[5.5]undec-3-ene-2,7,9,11-tetrone has a molecular weight of 314.30 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethyl-4-phenyl-1,3,8,10-tetrazaspiro[5.5]undec-3-ene-2,7,9,11-tetrone is sourced from PubChem (CID 102396174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).