Home Nitriles 8a-methyl-hexahydro-1H-pyrrolo[2,1-c]morpholine-3-carbonitrile

8a-methyl-hexahydro-1H-pyrrolo[2,1-c]morpholine-3-carbonitrile

CAS No.:
1803566-52-0
Catalog Number:
AG01AC7F
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
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Product Description
Catalog Number:
AG01AC7F
Chemical Name:
8a-methyl-hexahydro-1H-pyrrolo[2,1-c]morpholine-3-carbonitrile
CAS Number:
1803566-52-0
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
MDL Number:
MFCD26407908
IUPAC Name:
8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine-3-carbonitrile
InChI:
InChI=1S/C9H14N2O/c1-9-3-2-4-11(9)6-8(5-10)12-7-9/h8H,2-4,6-7H2,1H3
InChI Key:
HPISPUBATLQYPK-UHFFFAOYSA-N
SMILES:
N#CC1OCC2(N(C1)CCC2)C
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.111g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.224g/mol
Monoisotopic Mass:
166.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties