5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione

C10H12N4O4 — CID 145256989

IUPAC5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
SMILESO=C1NC2(CCC=NO2)C(=O)NC12CCC=NO2
InChIInChI=1S/C10H12N4O4/c15-7-9(3-1-5-11-17-9)13-8(16)10(14-7)4-2-6-12-18-10/h5-6H,1-4H2,(H,13,16)(H,14,15)
InChIKeyJQMQTWKKWQBHPM-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.78
Rot. Bonds

About 5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione

5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione (PubChem CID 145256989) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione.

Molecular Properties

Compound Name5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
PubChem CID145256989
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
SMILESO=C1NC2(CCC=NO2)C(=O)NC12CCC=NO2
InChIInChI=1S/C10H12N4O4/c15-7-9(3-1-5-11-17-9)13-8(16)10(14-7)4-2-6-12-18-10/h5-6H,1-4H2,(H,13,16)(H,14,15)
InChIKeyJQMQTWKKWQBHPM-UHFFFAOYSA-N
XLogP-0.78
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione with MolForge

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Related Compounds

4,12-Dioxa-3,7,11,14-tetrazadispiro[4.2.48.25]tetradeca-2,10-diene-6,13-dione
CID 145256974
5,14-Dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione;ethane
CID 145256988
8,16-Dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
CID 145257006
(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
16-Methyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
CID 145257016
16-Prop-2-ynyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
CID 145257036
(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 5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
The IUPAC name of 5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione (CID 145256989) is 5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione.
What is the SMILES notation for 5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
The canonical SMILES for 5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione is O=C1NC2(CCC=NO2)C(=O)NC12CCC=NO2.
What is the InChIKey of 5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
The InChIKey is JQMQTWKKWQBHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c15-7-9(3-1-5-11-17-9)13-8(16)10(14-7)4-2-6-12-18-10/h5-6H,1-4H2,(H,13,16)(H,14,15).
What are the key properties of 5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione has a molecular weight of 252.23 g/mol, XLogP of -0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione is sourced from PubChem (CID 145256989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).