7-(4-methoxy-2-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

C14H14N2O4 — CID 115947921

IUPAC7-(4-methoxy-2-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCOc1ccc(N2C(=O)NC(=O)C3(CC3)C2=O)c(C)c1
InChIInChI=1S/C14H14N2O4/c1-8-7-9(20-2)3-4-10(8)16-12(18)14(5-6-14)11(17)15-13(16)19/h3-4,7H,5-6H2,1-2H3,(H,15,17,19)
InChIKeyAXOXHOGXNAZVRQ-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.37
Rot. Bonds2

About 7-(4-methoxy-2-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-(4-methoxy-2-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 115947921) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 7-(4-methoxy-2-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(4-methoxy-2-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID115947921
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name7-(4-methoxy-2-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCOc1ccc(N2C(=O)NC(=O)C3(CC3)C2=O)c(C)c1
InChIInChI=1S/C14H14N2O4/c1-8-7-9(20-2)3-4-10(8)16-12(18)14(5-6-14)11(17)15-13(16)19/h3-4,7H,5-6H2,1-2H3,(H,15,17,19)
InChIKeyAXOXHOGXNAZVRQ-UHFFFAOYSA-N
XLogP1.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.37
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 7-(4-methoxy-2-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(4-methoxy-2-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 115947921) is 7-(4-methoxy-2-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(4-methoxy-2-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(4-methoxy-2-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is COc1ccc(N2C(=O)NC(=O)C3(CC3)C2=O)c(C)c1.
What is the InChIKey of 7-(4-methoxy-2-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is AXOXHOGXNAZVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-7-9(20-2)3-4-10(8)16-12(18)14(5-6-14)11(17)15-13(16)19/h3-4,7H,5-6H2,1-2H3,(H,15,17,19).
What are the key properties of 7-(4-methoxy-2-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(4-methoxy-2-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 274.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxy-2-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 115947921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).