(1E)-1-(Dimethylamino)-4-methylpent-1-en-3-one - CAS 5782-56-9
Catalog: |
BB042459 |
Product Name: |
(1E)-1-(Dimethylamino)-4-methylpent-1-en-3-one |
CAS: |
5782-56-9 |
Synonyms: |
J-501819; SCHEMBL314333; DTXSID80505220 |
IUPAC Name: | (E)-1-(dimethylamino)-4-methylpent-1-en-3-one |
Description: | (1E)-1-(Dimethylamino)-4-methylpent-1-en-3-one (CAS# 5782-56-9 ) is a useful research chemical. |
Molecular Weight: | 141.21 |
Molecular Formula: | C8H15NO |
Canonical SMILES: | CC(C)C(=O)C=CN(C)C |
InChI: | InChI=1S/C8H15NO/c1-7(2)8(10)5-6-9(3)4/h5-7H,1-4H3/b6-5+ |
InChI Key: | KLNDLIOPBBBDGL-AATRIKPKSA-N |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 141.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.115364102 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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