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146041-88-5 | 1-(1-Methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one
CAS No: 146041-88-5 Catalog No: AG01EU75 MDL No:
Product Description
Catalog Number:
AG01EU75
Chemical Name:
1-(1-Methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one
CAS Number:
146041-88-5
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
IUPAC Name:
1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one
InChI:
InChI=1S/C14H18N2O/c1-15-10-8-13(16-9-4-7-14(16)17)11-5-2-3-6-12(11)15/h2-3,5-6,13H,4,7-10H2,1H3
InChI Key:
IGIHGYKGRCPZCF-UHFFFAOYSA-N
SMILES:
O=C1CCCN1C1CCN(c2c1cccc2)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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