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Home > Other Heterocycles > 101607-39-0
101607-39-0 | 1-Butanone, 1-[3-(2-methyl-2-buten-1-yl)-3,8-diazabicyclo[3.2.1]oct-8-yl]-
CAS No: 101607-39-0 Catalog No: AG0004YJ MDL No:
Product Description
Catalog Number:
AG0004YJ
Chemical Name:
1-Butanone, 1-[3-(2-methyl-2-buten-1-yl)-3,8-diazabicyclo[3.2.1]oct-8-yl]-
CAS Number:
101607-39-0
Molecular Formula:
C15H26N2O
Molecular Weight:
250.3797
IUPAC Name:
1-[3-(2-methylbut-2-enyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one
InChI:
InChI=1S/C15H26N2O/c1-4-6-15(18)17-13-7-8-14(17)11-16(10-13)9-12(3)5-2/h5,13-14H,4,6-11H2,1-3H3
InChI Key:
PLVPBCILDZUVLX-UHFFFAOYSA-N
SMILES:
CCCC(=O)N1C2CCC1CN(C2)CC(=CC)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.205g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.386g/mol
Monoisotopic Mass:
250.205g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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