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Home > Pyridines > 1422061-64-0
1422061-64-0 | (3aR,6S,7aR)-N-cyclopentyloctahydrofuro[3,2-b]pyridine-6-carboxamide
CAS No: 1422061-64-0 Catalog No: AG01DH3P MDL No:
Product Description
Catalog Number:
AG01DH3P
Chemical Name:
(3aR,6S,7aR)-N-cyclopentyloctahydrofuro[3,2-b]pyridine-6-carboxamide
CAS Number:
1422061-64-0
Molecular Formula:
C13H22N2O2
Molecular Weight:
238.3260
IUPAC Name:
(3aR,6S,7aR)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide
InChI:
InChI=1S/C13H22N2O2/c16-13(15-10-3-1-2-4-10)9-7-12-11(14-8-9)5-6-17-12/h9-12,14H,1-8H2,(H,15,16)/t9-,11+,12+/m0/s1
InChI Key:
OIWSMMLXRLYOMS-MVWJERBFSA-N
SMILES:
O=C([C@@H]1CN[C@H]2[C@@H](C1)OCC2)NC1CCCC1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
238.168g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.331g/mol
Monoisotopic Mass:
238.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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