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88069-57-2 | 1H-Pyrrolizine-7a(5H)-acetamide, tetrahydro-N-(2-methylphenyl)-
CAS No: 88069-57-2 Catalog No: AG004HX9 MDL No:
Product Description
Catalog Number:
AG004HX9
Chemical Name:
1H-Pyrrolizine-7a(5H)-acetamide, tetrahydro-N-(2-methylphenyl)-
CAS Number:
88069-57-2
Molecular Formula:
C16H22N2O
Molecular Weight:
258.3587
IUPAC Name:
2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-(2-methylphenyl)acetamide
InChI:
InChI=1S/C16H22N2O/c1-13-6-2-3-7-14(13)17-15(19)12-16-8-4-10-18(16)11-5-9-16/h2-3,6-7H,4-5,8-12H2,1H3,(H,17,19)
InChI Key:
GCEDMCFPVHRCFD-UHFFFAOYSA-N
SMILES:
O=C(CC12CCCN2CCC1)Nc1ccccc1C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.365g/mol
Monoisotopic Mass:
258.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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