Home Carboxys Methyl 1-isopropyl-5-oxopyrrolidine-3-carboxylate

Methyl 1-isopropyl-5-oxopyrrolidine-3-carboxylate

CAS No.:
59857-84-0
Catalog Number:
AG003RKI
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
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Product Description
Catalog Number:
AG003RKI
Chemical Name:
Methyl 1-isopropyl-5-oxopyrrolidine-3-carboxylate
CAS Number:
59857-84-0
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD11053005
IUPAC Name:
methyl 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
InChI:
InChI=1S/C9H15NO3/c1-6(2)10-5-7(4-8(10)11)9(12)13-3/h6-7H,4-5H2,1-3H3
InChI Key:
VEDZQKXBBVWZHO-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(=O)N(C1)C(C)C
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties