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Home > Other Heterocycles > 1824674-39-6
1824674-39-6 | tert-Butyl N-[3-methyl-4-oxo-1,3,7-triazaspiro[4.5]decan-2-ylidene]carbamate
CAS No: 1824674-39-6 Catalog No: AG01CCSO MDL No:
Product Description
Catalog Number:
AG01CCSO
Chemical Name:
tert-Butyl N-[3-methyl-4-oxo-1,3,7-triazaspiro[4.5]decan-2-ylidene]carbamate
CAS Number:
1824674-39-6
Molecular Formula:
C13H22N4O3
Molecular Weight:
282.3388
IUPAC Name:
tert-butyl N-(3-methyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-2-yl)carbamate
InChI:
InChI=1S/C13H22N4O3/c1-12(2,3)20-11(19)15-10-16-13(9(18)17(10)4)6-5-7-14-8-13/h14H,5-8H2,1-4H3,(H,15,16,19)
InChI Key:
SEIXPNFLABNBGA-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1=NC2(C(=O)N1C)CCCNC2
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.169g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.344g/mol
Monoisotopic Mass:
282.169g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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