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

C11H14N4O4 — CID 145257016

IUPAC16-methyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
SMILESCN1C(=O)C2(CCC=NO2)NC(=O)C12CCC=NO2
InChIInChI=1S/C11H14N4O4/c1-15-9(17)10(4-2-6-12-18-10)14-8(16)11(15)5-3-7-13-19-11/h6-7H,2-5H2,1H3,(H,14,16)
InChIKeyAPTFVESNVAXQQX-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.44
Rot. Bonds

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

16-methyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione (PubChem CID 145257016) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 16-methyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione.

Molecular Properties

Compound Name16-methyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
PubChem CID145257016
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name16-methyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
SMILESCN1C(=O)C2(CCC=NO2)NC(=O)C12CCC=NO2
InChIInChI=1S/C11H14N4O4/c1-15-9(17)10(4-2-6-12-18-10)14-8(16)11(15)5-3-7-13-19-11/h6-7H,2-5H2,1H3,(H,14,16)
InChIKeyAPTFVESNVAXQQX-UHFFFAOYSA-N
XLogP-0.44
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 16-methyl-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

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
8,16-Dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
CID 145257006
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 16-methyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
The IUPAC name of 16-methyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione (CID 145257016) is 16-methyl-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 16-methyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
The canonical SMILES for 16-methyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione is CN1C(=O)C2(CCC=NO2)NC(=O)C12CCC=NO2.
What is the InChIKey of 16-methyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
The InChIKey is APTFVESNVAXQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-15-9(17)10(4-2-6-12-18-10)14-8(16)11(15)5-3-7-13-19-11/h6-7H,2-5H2,1H3,(H,14,16).
What are the key properties of 16-methyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
16-methyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione has a molecular weight of 266.26 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione is sourced from PubChem (CID 145257016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).