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Home > Indoles and Oxindole > 88234-61-1
88234-61-1 | 1H-Indole, 3-(5-ethoxy-3,4-dihydro-2H-pyrrol-3-yl)-1-methyl-
CAS No: 88234-61-1 Catalog No: AG004CXC MDL No:
Product Description
Catalog Number:
AG004CXC
Chemical Name:
1H-Indole, 3-(5-ethoxy-3,4-dihydro-2H-pyrrol-3-yl)-1-methyl-
CAS Number:
88234-61-1
Molecular Formula:
C15H18N2O
Molecular Weight:
242.3162
IUPAC Name:
3-(5-ethoxy-3,4-dihydro-2H-pyrrol-3-yl)-1-methylindole
InChI:
InChI=1S/C15H18N2O/c1-3-18-15-8-11(9-16-15)13-10-17(2)14-7-5-4-6-12(13)14/h4-7,10-11H,3,8-9H2,1-2H3
InChI Key:
BXRPGQHTBXHJBC-UHFFFAOYSA-N
SMILES:
CCOC1=NCC(C1)c1cn(c2c1cccc2)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.322g/mol
Monoisotopic Mass:
242.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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