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Home > Indoles and Oxindole > 95399-28-3
95399-28-3 | 3-[2-(2,5-DIMETHYL-1H-PYRROL-1-YL)ETHYL]-1H-INDOLE
CAS No: 95399-28-3 Catalog No: AG005RXZ MDL No:MFCD02223273
Product Description
Catalog Number:
AG005RXZ
Chemical Name:
3-[2-(2,5-DIMETHYL-1H-PYRROL-1-YL)ETHYL]-1H-INDOLE
CAS Number:
95399-28-3
Molecular Formula:
C16H18N2
Molecular Weight:
238.3275
MDL Number:
MFCD02223273
IUPAC Name:
3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1H-indole
InChI:
InChI=1S/C16H18N2/c1-12-7-8-13(2)18(12)10-9-14-11-17-16-6-4-3-5-15(14)16/h3-8,11,17H,9-10H2,1-2H3
InChI Key:
DVRSFBAQFCZILZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(n1CCc1c[nH]c2c1cccc2)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.334g/mol
Monoisotopic Mass:
238.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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