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Home > Pyridines > 1206186-92-6
1206186-92-6 | 5-ethyl-octahydro-1H-pyrrolo[3,4-c]pyridine-1,3-dione
CAS No: 1206186-92-6 Catalog No: AG01C7ZF MDL No:MFCD31440403
Product Description
Catalog Number:
AG01C7ZF
Chemical Name:
5-ethyl-octahydro-1H-pyrrolo[3,4-c]pyridine-1,3-dione
CAS Number:
1206186-92-6
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD31440403
IUPAC Name:
5-ethyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione
InChI:
InChI=1S/C9H14N2O2/c1-2-11-4-3-6-7(5-11)9(13)10-8(6)12/h6-7H,2-5H2,1H3,(H,10,12,13)
InChI Key:
JHCMXOWOYSMTOR-UHFFFAOYSA-N
SMILES:
CCN1CCC2C(C1)C(=O)NC2=O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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