Ethyl 3-methyl-2-(1h-pyrrol-1-yl)pentanoate - CAS 1252924-07-4
Catalog: |
BB063315 |
Product Name: |
Ethyl 3-methyl-2-(1h-pyrrol-1-yl)pentanoate |
CAS: |
1252924-07-4 |
Synonyms: |
ethyl 3-methyl-2-(1H-pyrrol-1-yl)pentanoate; ethyl 3-methyl-2-pyrrol-1-ylpentanoate; ethyl3-methyl-2-(1H-pyrrol-1-yl)pentanoate |
IUPAC Name: | ethyl 3-methyl-2-pyrrol-1-ylpentanoate |
Description: | Ethyl 3-methyl-2-(1h-pyrrol-1-yl)pentanoate |
Molecular Weight: | 209.28 |
Molecular Formula: | C12H19NO2 |
Canonical SMILES: | CCC(C)C(C(=O)OCC)N1C=CC=C1 |
InChI: | InChI=1S/C12H19NO2/c1-4-10(3)11(12(14)15-5-2)13-8-6-7-9-13/h6-11H,4-5H2,1-3H3 |
InChI Key: | RGEPVMUUYVYHRJ-UHFFFAOYSA-N |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.141578849 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.141578849 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 31.2Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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