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85198-91-0 | 4-(1-methyl-1H-imidazol-5-yl)pyrrolidin-2-one
CAS No: 85198-91-0 Catalog No: AG01A6RY MDL No:MFCD21699679
Product Description
Catalog Number:
AG01A6RY
Chemical Name:
4-(1-methyl-1H-imidazol-5-yl)pyrrolidin-2-one
CAS Number:
85198-91-0
Molecular Formula:
C8H11N3O
Molecular Weight:
165.1924
MDL Number:
MFCD21699679
IUPAC Name:
4-(3-methylimidazol-4-yl)pyrrolidin-2-one
InChI:
InChI=1S/C8H11N3O/c1-11-5-9-4-7(11)6-2-8(12)10-3-6/h4-6H,2-3H2,1H3,(H,10,12)
InChI Key:
HOOHRWVPXXPRMV-UHFFFAOYSA-N
SMILES:
O=C1NCC(C1)c1cncn1C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.196g/mol
Monoisotopic Mass:
165.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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