Home Other Building Blocks 1,2,2-trimethylpyrrolidin-3-one

1,2,2-trimethylpyrrolidin-3-one

CAS No.:
53874-84-3
Catalog Number:
AG01BRUJ
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
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Product Description
Catalog Number:
AG01BRUJ
Chemical Name:
1,2,2-trimethylpyrrolidin-3-one
CAS Number:
53874-84-3
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD22071428
IUPAC Name:
1,2,2-trimethylpyrrolidin-3-one
InChI:
InChI=1S/C7H13NO/c1-7(2)6(9)4-5-8(7)3/h4-5H2,1-3H3
InChI Key:
DWYFDOGPFCQTIE-UHFFFAOYSA-N
SMILES:
CN1CCC(=O)C1(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:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties