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72700-01-7 | 1H-Inden-1-one,2,3-dihydro-2-[(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)methylene]-
CAS No: 72700-01-7 Catalog No: AG005FN3 MDL No:
Product Description
Catalog Number:
AG005FN3
Chemical Name:
1H-Inden-1-one,2,3-dihydro-2-[(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)methylene]-
CAS Number:
72700-01-7
Molecular Formula:
C22H21NO
Molecular Weight:
315.4082
IUPAC Name:
(2E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3H-inden-1-one
InChI:
InChI=1S/C22H21NO/c24-22-19(14-16-5-1-2-8-20(16)22)13-15-11-17-6-3-9-23-10-4-7-18(12-15)21(17)23/h1-2,5,8,11-13H,3-4,6-7,9-10,14H2/b19-13+
InChI Key:
YVWGLGCGEKNNSV-CPNJWEJPSA-N
SMILES:
O=C1C(=Cc2cc3CCCN4c3c(c2)CCC4)Cc2c1cccc2
EC Number:
276-768-8
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
315.162g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.416g/mol
Monoisotopic Mass:
315.162g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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