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1422142-40-2 | 1-(3a-phenyloctahydro-1H-pyrrolo[2,3-c]pyridin-1-yl)ethanone
CAS No: 1422142-40-2 Catalog No: AG01DHGR MDL No:
Product Description
Catalog Number:
AG01DHGR
Chemical Name:
1-(3a-phenyloctahydro-1H-pyrrolo[2,3-c]pyridin-1-yl)ethanone
CAS Number:
1422142-40-2
Molecular Formula:
C15H20N2O
Molecular Weight:
244.3321
IUPAC Name:
1-(3a-phenyl-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl)ethanone
InChI:
InChI=1S/C15H20N2O/c1-12(18)17-10-8-15(7-9-16-11-14(15)17)13-5-3-2-4-6-13/h2-6,14,16H,7-11H2,1H3
InChI Key:
WCQJCPQKOYWKJR-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCC2(C1CNCC2)c1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.338g/mol
Monoisotopic Mass:
244.158g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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