7-(2-methylbutoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione

C15H22N4O3 — CID 166646116

IUPAC7-(2-methylbutoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione
SMILESCCC(C)COc1c2n(ncc1=O)CN1CCCCN1C2=O
InChIInChI=1S/C15H22N4O3/c1-3-11(2)9-22-14-12(20)8-16-18-10-17-6-4-5-7-19(17)15(21)13(14)18/h8,11H,3-7,9-10H2,1-2H3
InChIKeyYJSONMXSYBXKML-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.09
Rot. Bonds4

About 7-(2-methylbutoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione

7-(2-methylbutoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione (PubChem CID 166646116) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 7-(2-methylbutoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione.

Molecular Properties

Compound Name7-(2-methylbutoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione
PubChem CID166646116
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name7-(2-methylbutoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione
SMILESCCC(C)COc1c2n(ncc1=O)CN1CCCCN1C2=O
InChIInChI=1S/C15H22N4O3/c1-3-11(2)9-22-14-12(20)8-16-18-10-17-6-4-5-7-19(17)15(21)13(14)18/h8,11H,3-7,9-10H2,1-2H3
InChIKeyYJSONMXSYBXKML-UHFFFAOYSA-N
XLogP1.09
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-Hydroxy-2-propan-2-yl-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione
CID 134297883
(6,9-Dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate
CID 142297252
7-(1-Methoxyethenoxymethoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione
CID 155365079
(6,9-Dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl methyl carbonate
CID 166646079
7-Methoxy-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione
CID 158821011

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylbutoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione?
The IUPAC name of 7-(2-methylbutoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione (CID 166646116) is 7-(2-methylbutoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione.
What is the SMILES notation for 7-(2-methylbutoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione?
The canonical SMILES for 7-(2-methylbutoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione is CCC(C)COc1c2n(ncc1=O)CN1CCCCN1C2=O.
What is the InChIKey of 7-(2-methylbutoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione?
The InChIKey is YJSONMXSYBXKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-3-11(2)9-22-14-12(20)8-16-18-10-17-6-4-5-7-19(17)15(21)13(14)18/h8,11H,3-7,9-10H2,1-2H3.
What are the key properties of 7-(2-methylbutoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione?
7-(2-methylbutoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione has a molecular weight of 306.37 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylbutoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione is sourced from PubChem (CID 166646116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).