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70241-07-5 | 2-Pyrrolidinone, 1-[2-(3,4-dihydro-6,7-dimethoxy-1-isoquinolinyl)ethyl]-
CAS No: 70241-07-5 Catalog No: AG005KG4 MDL No:
Product Description
Catalog Number:
AG005KG4
Chemical Name:
2-Pyrrolidinone, 1-[2-(3,4-dihydro-6,7-dimethoxy-1-isoquinolinyl)ethyl]-
CAS Number:
70241-07-5
Molecular Formula:
C17H22N2O3
Molecular Weight:
302.3682
IUPAC Name:
1-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethyl]pyrrolidin-2-one
InChI:
InChI=1S/C17H22N2O3/c1-21-15-10-12-5-7-18-14(13(12)11-16(15)22-2)6-9-19-8-3-4-17(19)20/h10-11H,3-9H2,1-2H3
InChI Key:
MVOUBBVCGQVUKE-UHFFFAOYSA-N
SMILES:
COc1cc2C(=NCCc2cc1OC)CCN1CCCC1=O
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.374g/mol
Monoisotopic Mass:
302.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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