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122759-68-6 | Pyrrolidine, 2-butyl-5-(4-penten-1-yl)-, (2R,5R)-rel-
CAS No: 122759-68-6 Catalog No: AG000JDO MDL No:
Product Description
Catalog Number:
AG000JDO
Chemical Name:
Pyrrolidine, 2-butyl-5-(4-penten-1-yl)-, (2R,5R)-rel-
CAS Number:
122759-68-6
Molecular Formula:
C13H25N
Molecular Weight:
195.3443
IUPAC Name:
2-butyl-5-pent-4-enylpyrrolidine
InChI:
InChI=1S/C13H25N/c1-3-5-7-9-13-11-10-12(14-13)8-6-4-2/h3,12-14H,1,4-11H2,2H3
InChI Key:
ZPXJCIMCGVOTOX-UHFFFAOYSA-N
SMILES:
CCCC[C@@H]1CC[C@H](N1)CCCC=C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.199g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.35g/mol
Monoisotopic Mass:
195.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Venom chemistry of the ant Myrmicaria melanogaster from Brunei. | Journal of natural products 20070201 |
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