methyl 10-(ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate

C14H19NO6 — CID 20652208

IUPACmethyl 10-(ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
SMILESCCNC(=O)OC1OC=C(C(=O)OC)C2CC3OC3(C)C12
InChIInChI=1S/C14H19NO6/c1-4-15-13(17)20-12-10-7(5-9-14(10,2)21-9)8(6-19-12)11(16)18-3/h6-7,9-10,12H,4-5H2,1-3H3,(H,15,17)
InChIKeyUOVDEUQCQPFHJT-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.94
Rot. Bonds3

About methyl 10-(ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate

methyl 10-(ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate (PubChem CID 20652208) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 10-(ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate.

Molecular Properties

Compound Namemethyl 10-(ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
PubChem CID20652208
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Namemethyl 10-(ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
SMILESCCNC(=O)OC1OC=C(C(=O)OC)C2CC3OC3(C)C12
InChIInChI=1S/C14H19NO6/c1-4-15-13(17)20-12-10-7(5-9-14(10,2)21-9)8(6-19-12)11(16)18-3/h6-7,9-10,12H,4-5H2,1-3H3,(H,15,17)
InChIKeyUOVDEUQCQPFHJT-UHFFFAOYSA-N
XLogP0.94
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 10-(ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate?
The IUPAC name of methyl 10-(ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate (CID 20652208) is methyl 10-(ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate.
What is the SMILES notation for methyl 10-(ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate?
The canonical SMILES for methyl 10-(ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate is CCNC(=O)OC1OC=C(C(=O)OC)C2CC3OC3(C)C12.
What is the InChIKey of methyl 10-(ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate?
The InChIKey is UOVDEUQCQPFHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-4-15-13(17)20-12-10-7(5-9-14(10,2)21-9)8(6-19-12)11(16)18-3/h6-7,9-10,12H,4-5H2,1-3H3,(H,15,17).
What are the key properties of methyl 10-(ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate?
methyl 10-(ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-(ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate is sourced from PubChem (CID 20652208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).