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Home > Indoles and Oxindole > 78175-16-3
78175-16-3 | Ethanone, 1-[1,2,5,6-tetrahydro-2-(1H-indol-3-yl)-1-methyl-4-pyridinyl]-
CAS No: 78175-16-3 Catalog No: AG0054PO MDL No:
Product Description
Catalog Number:
AG0054PO
Chemical Name:
Ethanone, 1-[1,2,5,6-tetrahydro-2-(1H-indol-3-yl)-1-methyl-4-pyridinyl]-
CAS Number:
78175-16-3
Molecular Formula:
C16H18N2O
Molecular Weight:
254.3269
IUPAC Name:
1-[6-(1H-indol-3-yl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone
InChI:
InChI=1S/C16H18N2O/c1-11(19)12-7-8-18(2)16(9-12)14-10-17-15-6-4-3-5-13(14)15/h3-6,9-10,16-17H,7-8H2,1-2H3
InChI Key:
DWLSCUQHBZRDMG-UHFFFAOYSA-N
SMILES:
CN1CCC(=CC1c1c[nH]c2c1cccc2)C(=O)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.333g/mol
Monoisotopic Mass:
254.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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