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87520-07-8 | 2,5-Pyrrolidinedione, 1-[2-(1-methyl-1H-pyrrol-2-yl)-2-phenylethyl]-
CAS No: 87520-07-8 Catalog No: AG004HAP MDL No:
Product Description
Catalog Number:
AG004HAP
Chemical Name:
2,5-Pyrrolidinedione, 1-[2-(1-methyl-1H-pyrrol-2-yl)-2-phenylethyl]-
CAS Number:
87520-07-8
Molecular Formula:
C17H18N2O2
Molecular Weight:
282.3370
IUPAC Name:
1-[2-(1-methylpyrrol-2-yl)-2-phenylethyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C17H18N2O2/c1-18-11-5-8-15(18)14(13-6-3-2-4-7-13)12-19-16(20)9-10-17(19)21/h2-8,11,14H,9-10,12H2,1H3
InChI Key:
RKEXGXNTZUSOEY-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1CC(c1cccn1C)c1ccccc1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.137g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.343g/mol
Monoisotopic Mass:
282.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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