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

C12H18N4O4 — CID 145256988

IUPAC5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione;ethane
SMILESCC.O=C1NC2(CCC=NO2)C(=O)NC12CCC=NO2
InChIInChI=1S/C10H12N4O4.C2H6/c15-7-9(3-1-5-11-17-9)13-8(16)10(14-7)4-2-6-12-18-10;1-2/h5-6H,1-4H2,(H,13,16)(H,14,15);1-2H3
InChIKeyGORHMPZZSWQJTF-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.24
Rot. Bonds

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

5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione;ethane (PubChem CID 145256988) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 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;ethane.

Molecular Properties

Compound Name5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione;ethane
PubChem CID145256988
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione;ethane
SMILESCC.O=C1NC2(CCC=NO2)C(=O)NC12CCC=NO2
InChIInChI=1S/C10H12N4O4.C2H6/c15-7-9(3-1-5-11-17-9)13-8(16)10(14-7)4-2-6-12-18-10;1-2/h5-6H,1-4H2,(H,13,16)(H,14,15);1-2H3
InChIKeyGORHMPZZSWQJTF-UHFFFAOYSA-N
XLogP0.24
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.24
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;ethane 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
CID 145256989
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;ethane?
The IUPAC name of 5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione;ethane (CID 145256988) is 5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione;ethane.
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;ethane?
The canonical SMILES for 5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione;ethane is CC.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;ethane?
The InChIKey is GORHMPZZSWQJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4.C2H6/c15-7-9(3-1-5-11-17-9)13-8(16)10(14-7)4-2-6-12-18-10;1-2/h5-6H,1-4H2,(H,13,16)(H,14,15);1-2H3.
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;ethane?
5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione;ethane has a molecular weight of 282.30 g/mol, XLogP of 0.24, 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;ethane is sourced from PubChem (CID 145256988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).