4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione

C8H8N4O4 — CID 145256974

IUPAC4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione
SMILESO=C1NC2(CC=NO2)C(=O)NC12CC=NO2
InChIInChI=1S/C8H8N4O4/c13-5-7(1-3-9-15-7)11-6(14)8(12-5)2-4-10-16-8/h3-4H,1-2H2,(H,11,14)(H,12,13)
InChIKeySFGFAWODSZZQDO-UHFFFAOYSA-N
MW224.18 g/mol
LogP-1.56
Rot. Bonds

About 4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione

4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione (PubChem CID 145256974) has the molecular formula C8H8N4O4 and a molecular weight of 224.18 g/mol. Its IUPAC name is 4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione.

Molecular Properties

Compound Name4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione
PubChem CID145256974
Molecular FormulaC8H8N4O4
Molecular Weight224.18 g/mol
Exact Mass224.05
IUPAC Name4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione
SMILESO=C1NC2(CC=NO2)C(=O)NC12CC=NO2
InChIInChI=1S/C8H8N4O4/c13-5-7(1-3-9-15-7)11-6(14)8(12-5)2-4-10-16-8/h3-4H,1-2H2,(H,11,14)(H,12,13)
InChIKeySFGFAWODSZZQDO-UHFFFAOYSA-N
XLogP-1.56
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione with MolForge

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Related Compounds

5,14-Dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione;ethane
CID 145256988
5,14-Dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
CID 145256989
(5S,8S)-4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione
CID 145257007
(5R,8R)-4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione
CID 145257009
(6R,9R)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
CID 145257044

Frequently Asked Questions

What is the IUPAC name of 4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione?
The IUPAC name of 4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione (CID 145256974) is 4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione.
What is the SMILES notation for 4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione?
The canonical SMILES for 4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione is O=C1NC2(CC=NO2)C(=O)NC12CC=NO2.
What is the InChIKey of 4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione?
The InChIKey is SFGFAWODSZZQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O4/c13-5-7(1-3-9-15-7)11-6(14)8(12-5)2-4-10-16-8/h3-4H,1-2H2,(H,11,14)(H,12,13).
What are the key properties of 4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione?
4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione has a molecular weight of 224.18 g/mol, XLogP of -1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione is sourced from PubChem (CID 145256974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).