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113789-91-6 | 2-Pyrrolidinone, 3-(2-propen-1-yl)-
CAS No: 113789-91-6 Catalog No: AG0009NV MDL No:
Product Description
Catalog Number:
AG0009NV
Chemical Name:
2-Pyrrolidinone, 3-(2-propen-1-yl)-
CAS Number:
113789-91-6
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
IUPAC Name:
3-prop-2-enylpyrrolidin-2-one
InChI:
InChI=1S/C7H11NO/c1-2-3-6-4-5-8-7(6)9/h2,6H,1,3-5H2,(H,8,9)
InChI Key:
YBWPYDMSBIAVKQ-UHFFFAOYSA-N
SMILES:
C=CCC1CCNC1=O
Properties
Complexity:
131
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:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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