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Home > Other Heterocycles > 2059945-45-6
2059945-45-6 | 1-[1-(2-methylpropyl)-1H-pyrrol-3-yl]-7-oxa-2-azaspiro[3.5]nonane
CAS No: 2059945-45-6 Catalog No: AG01BQG0 MDL No:MFCD30501403
Product Description
Catalog Number:
AG01BQG0
Chemical Name:
1-[1-(2-methylpropyl)-1H-pyrrol-3-yl]-7-oxa-2-azaspiro[3.5]nonane
CAS Number:
2059945-45-6
Molecular Formula:
C15H24N2O
Molecular Weight:
248.3639
MDL Number:
MFCD30501403
IUPAC Name:
3-[1-(2-methylpropyl)pyrrol-3-yl]-7-oxa-2-azaspiro[3.5]nonane
InChI:
InChI=1S/C15H24N2O/c1-12(2)9-17-6-3-13(10-17)14-15(11-16-14)4-7-18-8-5-15/h3,6,10,12,14,16H,4-5,7-9,11H2,1-2H3
InChI Key:
FTJOEYQSHSBIMK-UHFFFAOYSA-N
SMILES:
CC(Cn1ccc(c1)C1NCC21CCOCC2)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.189g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.37g/mol
Monoisotopic Mass:
248.189g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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