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218952-70-6 | 2-methyl-octahydroimidazolidino[1,5-a]piperazine-1,3-dione
CAS No: 218952-70-6 Catalog No: AG01AE41 MDL No:MFCD23731304
Product Description
Catalog Number:
AG01AE41
Chemical Name:
2-methyl-octahydroimidazolidino[1,5-a]piperazine-1,3-dione
CAS Number:
218952-70-6
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD23731304
IUPAC Name:
2-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
InChI:
InChI=1S/C7H11N3O2/c1-9-6(11)5-4-8-2-3-10(5)7(9)12/h5,8H,2-4H2,1H3
InChI Key:
JFKPCHOCFGJEHG-UHFFFAOYSA-N
SMILES:
CN1C(=O)C2N(C1=O)CCNC2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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