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Home > Other Heterocycles > 1290627-16-5
1290627-16-5 | 2-({5',6'-DIOXOSPIRO[PYRROLIDINE-3,1'-PYRROLO[2,1-C][1?2,2,4]TRIAZINE]-1-YLCARBONYLOXY)-2-METHYLPROPYLIDYNE
CAS No: 1290627-16-5 Catalog No: AG01DTJO MDL No:MFCD19442332
Product Description
Catalog Number:
AG01DTJO
Chemical Name:
2-({5',6'-DIOXOSPIRO[PYRROLIDINE-3,1'-PYRROLO[2,1-C][1?2,2,4]TRIAZINE]-1-YLCARBONYLOXY)-2-METHYLPROPYLIDYNE
CAS Number:
1290627-16-5
Molecular Formula:
C14H20N4O4
Molecular Weight:
308.3330
MDL Number:
MFCD19442332
IUPAC Name:
tert-butyl 3,4-dioxospiro[6,7-dihydro-2H-pyrrolo[2,1-c][1,2,4]triazine-8,3'-pyrrolidine]-1'-carboxylate
InChI:
InChI=1S/C14H20N4O4/c1-13(2,3)22-12(21)17-6-4-14(8-17)5-7-18-10(20)9(19)15-16-11(14)18/h4-8H2,1-3H3,(H,15,19)
InChI Key:
NUJSJAQWRHTMJA-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(C1)CCn1c2n[nH]c(=O)c1=O)OC(C)(C)C
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.148g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.338g/mol
Monoisotopic Mass:
308.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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