ethyl 1-(2,5-dimethylfuran-3-carbonyl)-2-methylazetidine-2-carboxylate

C14H19NO4 — CID 46942570

IUPACethyl 1-(2,5-dimethylfuran-3-carbonyl)-2-methylazetidine-2-carboxylate
SMILESCCOC(=O)C1(C)CCN1C(=O)c1cc(C)oc1C
InChIInChI=1S/C14H19NO4/c1-5-18-13(17)14(4)6-7-15(14)12(16)11-8-9(2)19-10(11)3/h8H,5-7H2,1-4H3
InChIKeyZSQAUZIEXPLHIZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.06
Rot. Bonds3

About ethyl 1-(2,5-dimethylfuran-3-carbonyl)-2-methylazetidine-2-carboxylate

ethyl 1-(2,5-dimethylfuran-3-carbonyl)-2-methylazetidine-2-carboxylate (PubChem CID 46942570) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 1-(2,5-dimethylfuran-3-carbonyl)-2-methylazetidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,5-dimethylfuran-3-carbonyl)-2-methylazetidine-2-carboxylate
PubChem CID46942570
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 1-(2,5-dimethylfuran-3-carbonyl)-2-methylazetidine-2-carboxylate
SMILESCCOC(=O)C1(C)CCN1C(=O)c1cc(C)oc1C
InChIInChI=1S/C14H19NO4/c1-5-18-13(17)14(4)6-7-15(14)12(16)11-8-9(2)19-10(11)3/h8H,5-7H2,1-4H3
InChIKeyZSQAUZIEXPLHIZ-UHFFFAOYSA-N
XLogP2.06
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,5-dimethylfuran-3-carbonyl)-2-methylazetidine-2-carboxylate?
The IUPAC name of ethyl 1-(2,5-dimethylfuran-3-carbonyl)-2-methylazetidine-2-carboxylate (CID 46942570) is ethyl 1-(2,5-dimethylfuran-3-carbonyl)-2-methylazetidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2,5-dimethylfuran-3-carbonyl)-2-methylazetidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2,5-dimethylfuran-3-carbonyl)-2-methylazetidine-2-carboxylate is CCOC(=O)C1(C)CCN1C(=O)c1cc(C)oc1C.
What is the InChIKey of ethyl 1-(2,5-dimethylfuran-3-carbonyl)-2-methylazetidine-2-carboxylate?
The InChIKey is ZSQAUZIEXPLHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-5-18-13(17)14(4)6-7-15(14)12(16)11-8-9(2)19-10(11)3/h8H,5-7H2,1-4H3.
What are the key properties of ethyl 1-(2,5-dimethylfuran-3-carbonyl)-2-methylazetidine-2-carboxylate?
ethyl 1-(2,5-dimethylfuran-3-carbonyl)-2-methylazetidine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,5-dimethylfuran-3-carbonyl)-2-methylazetidine-2-carboxylate is sourced from PubChem (CID 46942570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).