(6,9-dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate

C14H18N4O6 — CID 142297252

IUPAC(6,9-dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate
SMILESCCOC(=O)OCOc1c2n(ncc1=O)CN1CCCCN1C2=O
InChIInChI=1S/C14H18N4O6/c1-2-22-14(21)24-9-23-12-10(19)7-15-17-8-16-5-3-4-6-18(16)13(20)11(12)17/h7H,2-6,8-9H2,1H3
InChIKeyLUXHSQYZDPVTLI-UHFFFAOYSA-N
MW338.32 g/mol
LogP0.18
Rot. Bonds4

About (6,9-dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate

(6,9-dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate (PubChem CID 142297252) has the molecular formula C14H18N4O6 and a molecular weight of 338.32 g/mol. Its IUPAC name is (6,9-dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate.

Molecular Properties

Compound Name(6,9-dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate
PubChem CID142297252
Molecular FormulaC14H18N4O6
Molecular Weight338.32 g/mol
Exact Mass338.12
IUPAC Name(6,9-dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate
SMILESCCOC(=O)OCOc1c2n(ncc1=O)CN1CCCCN1C2=O
InChIInChI=1S/C14H18N4O6/c1-2-22-14(21)24-9-23-12-10(19)7-15-17-8-16-5-3-4-6-18(16)13(20)11(12)17/h7H,2-6,8-9H2,1H3
InChIKeyLUXHSQYZDPVTLI-UHFFFAOYSA-N
XLogP0.18
TPSA103.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl N-ethyl-N-methylcarbamate
CID 134314590
(3,5-Dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl ethyl carbonate
CID 142297141
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-(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 (6,9-dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate?
The IUPAC name of (6,9-dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate (CID 142297252) is (6,9-dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate.
What is the SMILES notation for (6,9-dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate?
The canonical SMILES for (6,9-dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate is CCOC(=O)OCOc1c2n(ncc1=O)CN1CCCCN1C2=O.
What is the InChIKey of (6,9-dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate?
The InChIKey is LUXHSQYZDPVTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O6/c1-2-22-14(21)24-9-23-12-10(19)7-15-17-8-16-5-3-4-6-18(16)13(20)11(12)17/h7H,2-6,8-9H2,1H3.
What are the key properties of (6,9-dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate?
(6,9-dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate has a molecular weight of 338.32 g/mol, XLogP of 0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6,9-dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate is sourced from PubChem (CID 142297252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).