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Home > Pyridines > 1692263-62-9
1692263-62-9 | octahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CAS No: 1692263-62-9 Catalog No: AG01B1FF MDL No:MFCD28012212
Product Description
Catalog Number:
AG01B1FF
Chemical Name:
octahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CAS Number:
1692263-62-9
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
MDL Number:
MFCD28012212
IUPAC Name:
1,2,3,4,4a,6,7,7a-octahydropyrrolo[3,4-b]pyridin-5-one
InChI:
InChI=1S/C7H12N2O/c10-7-5-2-1-3-8-6(5)4-9-7/h5-6,8H,1-4H2,(H,9,10)
InChI Key:
CRYMABXXBCKOLG-UHFFFAOYSA-N
SMILES:
O=C1NCC2C1CCCN2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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