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88221-20-9 | 2-Pyrrolidinone, 4-(1-methyl-1H-indol-3-yl)-
CAS No: 88221-20-9 Catalog No: AG004BOC MDL No:MFCD22170189
Product Description
Catalog Number:
AG004BOC
Chemical Name:
2-Pyrrolidinone, 4-(1-methyl-1H-indol-3-yl)-
CAS Number:
88221-20-9
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD22170189
IUPAC Name:
4-(1-methylindol-3-yl)pyrrolidin-2-one
InChI:
InChI=1S/C13H14N2O/c1-15-8-11(9-6-13(16)14-7-9)10-4-2-3-5-12(10)15/h2-5,8-9H,6-7H2,1H3,(H,14,16)
InChI Key:
RFFWGNLJTXLSNP-UHFFFAOYSA-N
SMILES:
O=C1NCC(C1)c1cn(c2c1cccc2)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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