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Home > Indoles and Oxindole > 885457-49-8
885457-49-8 | 3-[2-METHYL-3-(2-PYRIDIN-4-YL-ETHYL)-INDOLIZIN-1-YL]-3-OXO-PROPIONITRILE
CAS No: 885457-49-8 Catalog No: AG019GUS MDL No:MFCD06660586
Product Description
Catalog Number:
AG019GUS
Chemical Name:
3-[2-METHYL-3-(2-PYRIDIN-4-YL-ETHYL)-INDOLIZIN-1-YL]-3-OXO-PROPIONITRILE
CAS Number:
885457-49-8
Molecular Formula:
C19H17N3O
Molecular Weight:
303.3578
MDL Number:
MFCD06660586
IUPAC Name:
3-[2-methyl-3-(2-pyridin-4-ylethyl)indolizin-1-yl]-3-oxopropanenitrile
InChI:
InChI=1S/C19H17N3O/c1-14-16(6-5-15-8-11-21-12-9-15)22-13-3-2-4-17(22)19(14)18(23)7-10-20/h2-4,8-9,11-13H,5-7H2,1H3
InChI Key:
OCHLCSUDWUQNLP-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1c2ccccn2c(c1C)CCc1ccncc1
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.365g/mol
Monoisotopic Mass:
303.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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