6-Ethylpiperidin-2-one
Catalog: |
BB055181 |
Product Name: |
6-Ethylpiperidin-2-one |
Synonyms: |
6-ethylpiperidin-2-one; 6-ETHYL-2-PIPERIDINONE; (+/-)-6-ethyl-2-piperidinone; 1,3-DIHYDROXYACETONEOXIME |
IUPAC Name: | 6-ethylpiperidin-2-one |
Molecular Weight: | 127.18 |
Molecular Formula: | C7H13NO |
Canonical SMILES: | CCC1CCCC(=O)N1 |
InChI: | InChI=1S/C7H13NO/c1-2-6-4-3-5-7(9)8-6/h6H,2-5H2,1H3,(H,8,9) |
InChI Key: | PAHMYIHLZQRVHU-UHFFFAOYSA-N |
Storage: | Inert atmosphere |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.099714038 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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