Home Carboxys 2-methylpropyl 2-methyl-octahydropyrrolo[2,3-c]pyrrole-1-carboxylate

2-methylpropyl 2-methyl-octahydropyrrolo[2,3-c]pyrrole-1-carboxylate

CAS No.:
1218288-32-4
Catalog Number:
AG01A0IX
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
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Product Description
Catalog Number:
AG01A0IX
Chemical Name:
2-methylpropyl 2-methyl-octahydropyrrolo[2,3-c]pyrrole-1-carboxylate
CAS Number:
1218288-32-4
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD12082836
IUPAC Name:
2-methylpropyl 2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate
InChI:
InChI=1S/C12H22N2O2/c1-8(2)7-16-12(15)14-9(3)4-10-5-13-6-11(10)14/h8-11,13H,4-7H2,1-3H3
InChI Key:
RYIGOQFWMTVKTB-UHFFFAOYSA-N
SMILES:
CC(COC(=O)N1C(C)CC2C1CNC2)C
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.168g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.32g/mol
Monoisotopic Mass:
226.168g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties