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Home > Nitro Compounds > 1803588-25-1
1803588-25-1 | 5-nitro-6-(1,2,5-trimethyl-1H-pyrrol-3-yl)piperidin-2-one
CAS No: 1803588-25-1 Catalog No: AG01B9YY MDL No:MFCD28397446
Product Description
Catalog Number:
AG01B9YY
Chemical Name:
5-nitro-6-(1,2,5-trimethyl-1H-pyrrol-3-yl)piperidin-2-one
CAS Number:
1803588-25-1
Molecular Formula:
C12H17N3O3
Molecular Weight:
251.2817
MDL Number:
MFCD28397446
IUPAC Name:
5-nitro-6-(1,2,5-trimethylpyrrol-3-yl)piperidin-2-one
InChI:
InChI=1S/C12H17N3O3/c1-7-6-9(8(2)14(7)3)12-10(15(17)18)4-5-11(16)13-12/h6,10,12H,4-5H2,1-3H3,(H,13,16)
InChI Key:
TUYCFZQTNREGEH-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(N1)c1cc(n(c1C)C)C)[N+](=O)[O-]
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.286g/mol
Monoisotopic Mass:
251.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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