ethyl 1,3-selenazole-5-carboxylate

C6H7NO2Se — CID 141442834

IUPACethyl 1,3-selenazole-5-carboxylate
SMILESCCOC(=O)c1cnc[se]1
InChIInChI=1S/C6H7NO2Se/c1-2-9-6(8)5-3-7-4-10-5/h3-4H,2H2,1H3
InChIKeyPMZJJSPBIAAONU-UHFFFAOYSA-N
MW204.09 g/mol
LogP0.32
Rot. Bonds2

About ethyl 1,3-selenazole-5-carboxylate

ethyl 1,3-selenazole-5-carboxylate (PubChem CID 141442834) has the molecular formula C6H7NO2Se and a molecular weight of 204.09 g/mol. Its IUPAC name is ethyl 1,3-selenazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-selenazole-5-carboxylate
PubChem CID141442834
Molecular FormulaC6H7NO2Se
Molecular Weight204.09 g/mol
Exact Mass204.96
IUPAC Nameethyl 1,3-selenazole-5-carboxylate
SMILESCCOC(=O)c1cnc[se]1
InChIInChI=1S/C6H7NO2Se/c1-2-9-6(8)5-3-7-4-10-5/h3-4H,2H2,1H3
InChIKeyPMZJJSPBIAAONU-UHFFFAOYSA-N
XLogP0.32
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 1,3,5-triazine-2-carboxylate
CID 23260906
diethyl pyrimidine-4,5-dicarboxylate
CID 13000769
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
CID 163395737
CID 163395737
ethyl 1,3-oxazole-2-carboxylate
CID 18465927
5-ethoxycarbonylpyrazine-2-carboxylate
CID 86656579
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
ethyl 2-methyl-1,3-oxazole-5-carboxylate
CID 12639612
ethyl 3-hydroxy-5-methylpyridine-4-carboxylate
CID 131216125
ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
(2-ethoxycarbonylpyrimidin-5-yl)boronic acid
CID 75201258
tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
CID 154144676

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-selenazole-5-carboxylate?
The IUPAC name of ethyl 1,3-selenazole-5-carboxylate (CID 141442834) is ethyl 1,3-selenazole-5-carboxylate.
What is the SMILES notation for ethyl 1,3-selenazole-5-carboxylate?
The canonical SMILES for ethyl 1,3-selenazole-5-carboxylate is CCOC(=O)c1cnc[se]1.
What is the InChIKey of ethyl 1,3-selenazole-5-carboxylate?
The InChIKey is PMZJJSPBIAAONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2Se/c1-2-9-6(8)5-3-7-4-10-5/h3-4H,2H2,1H3.
What are the key properties of ethyl 1,3-selenazole-5-carboxylate?
ethyl 1,3-selenazole-5-carboxylate has a molecular weight of 204.09 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-selenazole-5-carboxylate is sourced from PubChem (CID 141442834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).