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Home > Other Heterocycles > 2059937-09-4
2059937-09-4 | 1-[1-(propan-2-yl)-1H-pyrrol-3-yl]-6-oxa-2-azaspiro[3.4]octane
CAS No: 2059937-09-4 Catalog No: AG01BQGF MDL No:MFCD30501418
Product Description
Catalog Number:
AG01BQGF
Chemical Name:
1-[1-(propan-2-yl)-1H-pyrrol-3-yl]-6-oxa-2-azaspiro[3.4]octane
CAS Number:
2059937-09-4
Molecular Formula:
C13H20N2O
Molecular Weight:
220.3107
MDL Number:
MFCD30501418
IUPAC Name:
3-(1-propan-2-ylpyrrol-3-yl)-6-oxa-2-azaspiro[3.4]octane
InChI:
InChI=1S/C13H20N2O/c1-10(2)15-5-3-11(7-15)12-13(8-14-12)4-6-16-9-13/h3,5,7,10,12,14H,4,6,8-9H2,1-2H3
InChI Key:
KPEZWJHBOSQLCB-UHFFFAOYSA-N
SMILES:
CC(n1ccc(c1)C1NCC21COCC2)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.158g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.316g/mol
Monoisotopic Mass:
220.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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