200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 128740-13-6
128740-13-6 | 1H-Pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione, tetrahydro-6-(phenylmethyl)-
CAS No: 128740-13-6 Catalog No: AG000YC8 MDL No:MFCD06795495
Product Description
Catalog Number:
AG000YC8
Chemical Name:
1H-Pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione, tetrahydro-6-(phenylmethyl)-
CAS Number:
128740-13-6
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
MDL Number:
MFCD06795495
IUPAC Name:
6-benzyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione
InChI:
InChI=1S/C14H16N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2
InChI Key:
RRBLNPCNHNHAFW-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccccc2)C(=O)C2C1NCCC2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.