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Home > Other Heterocycles > 2059993-49-4
2059993-49-4 | 1-(1-methyl-1H-pyrrol-3-yl)-2-azaspiro[3.4]octane
CAS No: 2059993-49-4 Catalog No: AG01BQGL MDL No:MFCD30501424
Product Description
Catalog Number:
AG01BQGL
Chemical Name:
1-(1-methyl-1H-pyrrol-3-yl)-2-azaspiro[3.4]octane
CAS Number:
2059993-49-4
Molecular Formula:
C12H18N2
Molecular Weight:
190.2847
MDL Number:
MFCD30501424
IUPAC Name:
3-(1-methylpyrrol-3-yl)-2-azaspiro[3.4]octane
InChI:
InChI=1S/C12H18N2/c1-14-7-4-10(8-14)11-12(9-13-11)5-2-3-6-12/h4,7-8,11,13H,2-3,5-6,9H2,1H3
InChI Key:
BLOCTAFIXZFEJP-UHFFFAOYSA-N
SMILES:
Cn1ccc(c1)C1NCC21CCCC2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.147g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.29g/mol
Monoisotopic Mass:
190.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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