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Home > Other Heterocycles > 2059993-42-7
2059993-42-7 | 1-(1-ethyl-1H-pyrrol-3-yl)-7-oxa-2-azaspiro[3.5]nonane
CAS No: 2059993-42-7 Catalog No: AG01BQG8 MDL No:MFCD30501411
Product Description
Catalog Number:
AG01BQG8
Chemical Name:
1-(1-ethyl-1H-pyrrol-3-yl)-7-oxa-2-azaspiro[3.5]nonane
CAS Number:
2059993-42-7
Molecular Formula:
C13H20N2O
Molecular Weight:
220.3107
MDL Number:
MFCD30501411
IUPAC Name:
3-(1-ethylpyrrol-3-yl)-7-oxa-2-azaspiro[3.5]nonane
InChI:
InChI=1S/C13H20N2O/c1-2-15-6-3-11(9-15)12-13(10-14-12)4-7-16-8-5-13/h3,6,9,12,14H,2,4-5,7-8,10H2,1H3
InChI Key:
FQTCONKVMDGCAT-UHFFFAOYSA-N
SMILES:
CCn1ccc(c1)C1NCC21CCOCC2
Properties
Complexity:
250
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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