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Home > Indoles and Oxindole > 328027-98-1
328027-98-1 | 3-[3-(2-CYANO-ETHYL)-2-METHYL-INDOLIZIN-1-YL]-3-OXO-PROPIONITRILE
CAS No: 328027-98-1 Catalog No: AG019GUR MDL No:MFCD02704581
Product Description
Catalog Number:
AG019GUR
Chemical Name:
3-[3-(2-CYANO-ETHYL)-2-METHYL-INDOLIZIN-1-YL]-3-OXO-PROPIONITRILE
CAS Number:
328027-98-1
Molecular Formula:
C15H13N3O
Molecular Weight:
251.2832
MDL Number:
MFCD02704581
IUPAC Name:
3-[3-(2-cyanoethyl)-2-methylindolizin-1-yl]-3-oxopropanenitrile
InChI:
InChI=1S/C15H13N3O/c1-11-12(6-4-8-16)18-10-3-2-5-13(18)15(11)14(19)7-9-17/h2-3,5,10H,4,6-7H2,1H3
InChI Key:
QYUYAWYDOFIVJU-UHFFFAOYSA-N
SMILES:
N#CCCc1c(C)c(c2n1cccc2)C(=O)CC#N
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.289g/mol
Monoisotopic Mass:
251.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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