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20876-63-5 | 1-Pentanone, 5-(dimethylamino)-1-(3-ethenyl-1H-indol-2-yl)-
CAS No: 20876-63-5 Catalog No: AG002JW9 MDL No:
Product Description
Catalog Number:
AG002JW9
Chemical Name:
1-Pentanone, 5-(dimethylamino)-1-(3-ethenyl-1H-indol-2-yl)-
CAS Number:
20876-63-5
Molecular Formula:
C17H22N2O
Molecular Weight:
270.3694
IUPAC Name:
5-(dimethylamino)-1-(3-ethenyl-1H-indol-2-yl)pentan-1-one
InChI:
InChI=1S/C17H22N2O/c1-4-13-14-9-5-6-10-15(14)18-17(13)16(20)11-7-8-12-19(2)3/h4-6,9-10,18H,1,7-8,11-12H2,2-3H3
InChI Key:
AOWOMLRHKPVHPA-UHFFFAOYSA-N
SMILES:
C=Cc1c([nH]c2c1cccc2)C(=O)CCCCN(C)C
NSC Number:
112664
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.376g/mol
Monoisotopic Mass:
270.173g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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