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Home > Other Heterocycles > 2060060-22-0
2060060-22-0 | 1-[1-(propan-2-yl)-1H-pyrrol-3-yl]-2-azaspiro[3.4]octane
CAS No: 2060060-22-0 Catalog No: AG01BQGD MDL No:MFCD30501416
Product Description
Catalog Number:
AG01BQGD
Chemical Name:
1-[1-(propan-2-yl)-1H-pyrrol-3-yl]-2-azaspiro[3.4]octane
CAS Number:
2060060-22-0
Molecular Formula:
C14H22N2
Molecular Weight:
218.3379
MDL Number:
MFCD30501416
IUPAC Name:
3-(1-propan-2-ylpyrrol-3-yl)-2-azaspiro[3.4]octane
InChI:
InChI=1S/C14H22N2/c1-11(2)16-8-5-12(9-16)13-14(10-15-13)6-3-4-7-14/h5,8-9,11,13,15H,3-4,6-7,10H2,1-2H3
InChI Key:
AKMAWKJJQCEIOE-UHFFFAOYSA-N
SMILES:
CC(n1ccc(c1)C1NCC21CCCC2)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.344g/mol
Monoisotopic Mass:
218.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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