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88001-32-5 | 1-Pyrrolidinecarboxylic acid, 2-[2-(1-pyrrolidinyl)ethenyl]-, methyl ester
CAS No: 88001-32-5 Catalog No: AG004KI2 MDL No:
Product Description
Catalog Number:
AG004KI2
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[2-(1-pyrrolidinyl)ethenyl]-, methyl ester
CAS Number:
88001-32-5
Molecular Formula:
C12H20N2O2
Molecular Weight:
224.2994
IUPAC Name:
methyl 2-(2-pyrrolidin-1-ylethenyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H20N2O2/c1-16-12(15)14-9-4-5-11(14)6-10-13-7-2-3-8-13/h6,10-11H,2-5,7-9H2,1H3
InChI Key:
JFGPYMFRYMKZPZ-UHFFFAOYSA-N
SMILES:
COC(=O)N1CCCC1C=CN1CCCC1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.304g/mol
Monoisotopic Mass:
224.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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