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3000-78-0 | 1-[2-(pyridin-3-yl)pyrrolidin-1-yl]ethan-1-one
CAS No: 3000-78-0 Catalog No: AG01C7WX MDL No:MFCD20356565
Product Description
Catalog Number:
AG01C7WX
Chemical Name:
1-[2-(pyridin-3-yl)pyrrolidin-1-yl]ethan-1-one
CAS Number:
3000-78-0
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD20356565
IUPAC Name:
1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone
InChI:
InChI=1S/C11H14N2O/c1-9(14)13-7-3-5-11(13)10-4-2-6-12-8-10/h2,4,6,8,11H,3,5,7H2,1H3
InChI Key:
SSABMTSCLQGWBB-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCCC1c1cccnc1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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