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Home > Other Heterocycles > 2059993-39-2
2059993-39-2 | 1-[1-(2-methylpropyl)-1H-pyrrol-3-yl]-6-oxa-2-azaspiro[3.4]octane
CAS No: 2059993-39-2 Catalog No: AG01BQFZ MDL No:MFCD30501402
Product Description
Catalog Number:
AG01BQFZ
Chemical Name:
1-[1-(2-methylpropyl)-1H-pyrrol-3-yl]-6-oxa-2-azaspiro[3.4]octane
CAS Number:
2059993-39-2
Molecular Formula:
C14H22N2O
Molecular Weight:
234.3373
MDL Number:
MFCD30501402
IUPAC Name:
3-[1-(2-methylpropyl)pyrrol-3-yl]-6-oxa-2-azaspiro[3.4]octane
InChI:
InChI=1S/C14H22N2O/c1-11(2)7-16-5-3-12(8-16)13-14(9-15-13)4-6-17-10-14/h3,5,8,11,13,15H,4,6-7,9-10H2,1-2H3
InChI Key:
ZOZMXYBQIFZRHL-UHFFFAOYSA-N
SMILES:
CC(Cn1ccc(c1)C1NCC21COCC2)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.173g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.343g/mol
Monoisotopic Mass:
234.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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