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

C14H18N4O5 — CID 155365079

IUPAC7-(1-methoxyethenoxymethoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione
SMILESC=C(OC)OCOc1c2n(ncc1=O)CN1CCCCN1C2=O
InChIInChI=1S/C14H18N4O5/c1-10(21-2)22-9-23-13-11(19)7-15-17-8-16-5-3-4-6-18(16)14(20)12(13)17/h7H,1,3-6,8-9H2,2H3
InChIKeyFXBSFGNPILFUAY-UHFFFAOYSA-N
MW322.32 g/mol
LogP0.14
Rot. Bonds5

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

7-(1-methoxyethenoxymethoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione (PubChem CID 155365079) has the molecular formula C14H18N4O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is 7-(1-methoxyethenoxymethoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione.

Molecular Properties

Compound Name7-(1-methoxyethenoxymethoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione
PubChem CID155365079
Molecular FormulaC14H18N4O5
Molecular Weight322.32 g/mol
Exact Mass322.13
IUPAC Name7-(1-methoxyethenoxymethoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione
SMILESC=C(OC)OCOc1c2n(ncc1=O)CN1CCCCN1C2=O
InChIInChI=1S/C14H18N4O5/c1-10(21-2)22-9-23-13-11(19)7-15-17-8-16-5-3-4-6-18(16)14(20)12(13)17/h7H,1,3-6,8-9H2,2H3
InChIKeyFXBSFGNPILFUAY-UHFFFAOYSA-N
XLogP0.14
TPSA86.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(6,9-Dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate
CID 142297252
(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-(2-Methylbutoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione
CID 166646116
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-(1-methoxyethenoxymethoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione?
The IUPAC name of 7-(1-methoxyethenoxymethoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione (CID 155365079) is 7-(1-methoxyethenoxymethoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione.
What is the SMILES notation for 7-(1-methoxyethenoxymethoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione?
The canonical SMILES for 7-(1-methoxyethenoxymethoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione is C=C(OC)OCOc1c2n(ncc1=O)CN1CCCCN1C2=O.
What is the InChIKey of 7-(1-methoxyethenoxymethoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione?
The InChIKey is FXBSFGNPILFUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5/c1-10(21-2)22-9-23-13-11(19)7-15-17-8-16-5-3-4-6-18(16)14(20)12(13)17/h7H,1,3-6,8-9H2,2H3.
What are the key properties of 7-(1-methoxyethenoxymethoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione?
7-(1-methoxyethenoxymethoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione has a molecular weight of 322.32 g/mol, XLogP of 0.14, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methoxyethenoxymethoxy)-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione is sourced from PubChem (CID 155365079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).