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88630-44-8 | 2(1H)-Isoquinolinecarboxamide, 3,4-dihydro-N-2-propenyl-
CAS No: 88630-44-8 Catalog No: AG0049UX MDL No:
Product Description
Catalog Number:
AG0049UX
Chemical Name:
2(1H)-Isoquinolinecarboxamide, 3,4-dihydro-N-2-propenyl-
CAS Number:
88630-44-8
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
IUPAC Name:
N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
InChI:
InChI=1S/C13H16N2O/c1-2-8-14-13(16)15-9-7-11-5-3-4-6-12(11)10-15/h2-6H,1,7-10H2,(H,14,16)
InChI Key:
YTKUCFJWLFBQDZ-UHFFFAOYSA-N
SMILES:
C=CCNC(=O)N1CCc2c(C1)cccc2
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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