Home Other Building Blocks 4,4,5-TRIMETHYLPYRROLIDIN-2-ONE

4,4,5-TRIMETHYLPYRROLIDIN-2-ONE

CAS No.:
23461-70-3
Catalog Number:
AG01DW99
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
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Product Description
Catalog Number:
AG01DW99
Chemical Name:
4,4,5-TRIMETHYLPYRROLIDIN-2-ONE
CAS Number:
23461-70-3
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD19218322
IUPAC Name:
4,4,5-trimethylpyrrolidin-2-one
InChI:
InChI=1S/C7H13NO/c1-5-7(2,3)4-6(9)8-5/h5H,4H2,1-3H3,(H,8,9)
InChI Key:
OAXOLEUBBPAXMP-UHFFFAOYSA-N
SMILES:
O=C1NC(C(C1)(C)C)C
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties