2-(6-ethyl-1,3,5,7-tetraoxo-2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone

C13H8N4O8 — CID 58761315

IUPAC2-(6-ethyl-1,3,5,7-tetraoxo-2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone
SMILESCCN1C(=O)C2(C1=O)C(=O)N(N1C(=O)C3(C(=O)N(C)C3=O)C1=O)C2=O
InChIInChI=1S/C13H8N4O8/c1-3-15-6(20)13(7(15)21)10(24)17(11(13)25)16-8(22)12(9(16)23)4(18)14(2)5(12)19/h3H2,1-2H3
InChIKeyFZRYXGDMTLOTPW-UHFFFAOYSA-N
MW348.23 g/mol
LogP-4.00
Rot. Bonds2

About 2-(6-ethyl-1,3,5,7-tetraoxo-2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone

2-(6-ethyl-1,3,5,7-tetraoxo-2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone (PubChem CID 58761315) has the molecular formula C13H8N4O8 and a molecular weight of 348.23 g/mol. Its IUPAC name is 2-(6-ethyl-1,3,5,7-tetraoxo-2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone.

Molecular Properties

Compound Name2-(6-ethyl-1,3,5,7-tetraoxo-2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone
PubChem CID58761315
Molecular FormulaC13H8N4O8
Molecular Weight348.23 g/mol
Exact Mass348.03
IUPAC Name2-(6-ethyl-1,3,5,7-tetraoxo-2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone
SMILESCCN1C(=O)C2(C1=O)C(=O)N(N1C(=O)C3(C(=O)N(C)C3=O)C1=O)C2=O
InChIInChI=1S/C13H8N4O8/c1-3-15-6(20)13(7(15)21)10(24)17(11(13)25)16-8(22)12(9(16)23)4(18)14(2)5(12)19/h3H2,1-2H3
InChIKeyFZRYXGDMTLOTPW-UHFFFAOYSA-N
XLogP-4.00
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 5-4.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 2-(6-ethyl-1,3,5,7-tetraoxo-2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone?
The IUPAC name of 2-(6-ethyl-1,3,5,7-tetraoxo-2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone (CID 58761315) is 2-(6-ethyl-1,3,5,7-tetraoxo-2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone.
What is the SMILES notation for 2-(6-ethyl-1,3,5,7-tetraoxo-2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone?
The canonical SMILES for 2-(6-ethyl-1,3,5,7-tetraoxo-2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone is CCN1C(=O)C2(C1=O)C(=O)N(N1C(=O)C3(C(=O)N(C)C3=O)C1=O)C2=O.
What is the InChIKey of 2-(6-ethyl-1,3,5,7-tetraoxo-2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone?
The InChIKey is FZRYXGDMTLOTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O8/c1-3-15-6(20)13(7(15)21)10(24)17(11(13)25)16-8(22)12(9(16)23)4(18)14(2)5(12)19/h3H2,1-2H3.
What are the key properties of 2-(6-ethyl-1,3,5,7-tetraoxo-2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone?
2-(6-ethyl-1,3,5,7-tetraoxo-2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone has a molecular weight of 348.23 g/mol, XLogP of -4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-1,3,5,7-tetraoxo-2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone is sourced from PubChem (CID 58761315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).