Home Other Building Blocks 3,5,5-trimethyl-2,5-dihydro-1�-pyrrol-2-one

3,5,5-trimethyl-2,5-dihydro-1�-pyrrol-2-one

CAS No.:
73119-56-9
Catalog Number:
AG01BJ1J
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
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Product Description
Catalog Number:
AG01BJ1J
Chemical Name:
3,5,5-trimethyl-2,5-dihydro-1�-pyrrol-2-one
CAS Number:
73119-56-9
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD24553316
IUPAC Name:
3,5,5-trimethyl-1H-pyrrol-2-one
InChI:
InChI=1S/C7H11NO/c1-5-4-7(2,3)8-6(5)9/h4H,1-3H3,(H,8,9)
InChI Key:
ICJWQYASVMBUHL-UHFFFAOYSA-N
SMILES:
O=C1NC(C=C1C)(C)C
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties