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Home > Pyridines > 1932367-57-1
1932367-57-1 | rac-(3aR,7aS)-5-methyloctahydro-4H-pyrrolo[3,4-c]pyridin-4-one
CAS No: 1932367-57-1 Catalog No: AG00J2SJ MDL No:MFCD30737482
Product Description
Catalog Number:
AG00J2SJ
Chemical Name:
rac-(3aR,7aS)-5-methyloctahydro-4H-pyrrolo[3,4-c]pyridin-4-one
CAS Number:
1932367-57-1
Molecular Formula:
C8H14N2O
Molecular Weight:
154.2096
MDL Number:
MFCD30737482
IUPAC Name:
(3aR,7aS)-5-methyl-2,3,3a,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one
InChI:
InChI=1S/C8H14N2O/c1-10-3-2-6-4-9-5-7(6)8(10)11/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1
InChI Key:
WMDTZODKQITGAM-RQJHMYQMSA-N
SMILES:
O=C1N(C)CC[C@H]2[C@@H]1CNC2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
154.111g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.213g/mol
Monoisotopic Mass:
154.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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