Home Other Building Blocks 3-benzyl-3-methylpyrrolidin-2-one

3-benzyl-3-methylpyrrolidin-2-one

CAS No.:
175698-09-6
Catalog Number:
AG01AFVK
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
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Product Description
Catalog Number:
AG01AFVK
Chemical Name:
3-benzyl-3-methylpyrrolidin-2-one
CAS Number:
175698-09-6
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD24562578
IUPAC Name:
3-benzyl-3-methylpyrrolidin-2-one
InChI:
InChI=1S/C12H15NO/c1-12(7-8-13-11(12)14)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)
InChI Key:
TUHSXELEIUCENQ-UHFFFAOYSA-N
SMILES:
O=C1NCCC1(C)Cc1ccccc1
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties