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Home > Pyridines > 180526-69-6
180526-69-6 | Pyrrolidine, 1-[(2E)-1-oxo-3-(4-pyridinyl)-2-propenyl]- (9CI)
CAS No: 180526-69-6 Catalog No: AG002226 MDL No:
Product Description
Catalog Number:
AG002226
Chemical Name:
Pyrrolidine, 1-[(2E)-1-oxo-3-(4-pyridinyl)-2-propenyl]- (9CI)
CAS Number:
180526-69-6
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
3-pyridin-4-yl-1-pyrrolidin-1-ylprop-2-en-1-one
InChI:
InChI=1S/C12H14N2O/c15-12(14-9-1-2-10-14)4-3-11-5-7-13-8-6-11/h3-8H,1-2,9-10H2
InChI Key:
FPRSVPVBEUUMOY-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)/C=C/c1ccncc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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