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1227703-50-5 | Cyclopenta[c]pyrrole-1-carbonitrile, octahydro-, (3aR,6aS)-rel-
CAS No: 1227703-50-5 Catalog No: AG000JFU MDL No:
Product Description
Catalog Number:
AG000JFU
Chemical Name:
Cyclopenta[c]pyrrole-1-carbonitrile, octahydro-, (3aR,6aS)-rel-
CAS Number:
1227703-50-5
Molecular Formula:
C8H12N2
Molecular Weight:
136.1943
IUPAC Name:
(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonitrile
InChI:
InChI=1S/C8H12N2/c9-4-8-7-3-1-2-6(7)5-10-8/h6-8,10H,1-3,5H2/t6-,7-,8?/m1/s1
InChI Key:
YVJNNEITXBTHSZ-GCJDJSOWSA-N
SMILES:
N#CC1NC[C@H]2[C@@H]1CCC2
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
136.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.198g/mol
Monoisotopic Mass:
136.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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