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Home > Other Heterocycles > 1422066-39-4
1422066-39-4 | 8-isobutyryl-1,8,11-triazaspiro[5.6]dodecan-2-one
CAS No: 1422066-39-4 Catalog No: AG01DHQX MDL No:
Product Description
Catalog Number:
AG01DHQX
Chemical Name:
8-isobutyryl-1,8,11-triazaspiro[5.6]dodecan-2-one
CAS Number:
1422066-39-4
Molecular Formula:
C13H23N3O2
Molecular Weight:
253.3406
IUPAC Name:
8-(2-methylpropanoyl)-1,8,11-triazaspiro[5.6]dodecan-2-one
InChI:
InChI=1S/C13H23N3O2/c1-10(2)12(18)16-7-6-14-8-13(9-16)5-3-4-11(17)15-13/h10,14H,3-9H2,1-2H3,(H,15,17)
InChI Key:
WPZKSGHGAGINQR-UHFFFAOYSA-N
SMILES:
O=C1CCCC2(N1)CNCCN(C2)C(=O)C(C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.179g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.346g/mol
Monoisotopic Mass:
253.179g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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