Chem Methyl 4 Amino 1 Methylpyrrole 2 Carboxylate Dsrpl

Compound 133
  CheckMol                        TMF02:r0:m0
MF=C7H10N2O2 MW=154.17
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4892   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2764   -2.2338   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3237   -2.2338   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5647   -1.4774   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7065   -1.6074   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.4892   -3.7111   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7229   -2.7065   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.0256   -0.1300   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9665   -4.0066   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.5929   -5.3658   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6 01  0  1  0  0
  4  7 02  0  1  0  0
  6  8 01  0  1  0  0
  6  9  1  0  0  0  0
  7 10 01  0  1  0  0
 10 11  1  0  0  0  0
  8 10 02  0  1  0  0
M  END

Methyl-4-amino-1-methylpyrrole-2-carboxylate

₹ 0.00 0.00

Chemical Name - Methyl-4-amino-1-methylpyrrole-2-carboxylate
Mol Weight - 154.168
Smiles - Cn1c(C(OC)=O)cc(N)c1

Property Name	Property Value
Mol Name	Methyl-4-amino-1-methylpyrrole-2-carboxylate
Molweight	154.168
Monoisotopic Mass	154.074228
Clogp	-0.1954
Clogs	-0.544
H Acceptors	4
H Donors	1
Total Surface Area	123.25
Relative Psa	0.36657
Polar Surface Area	57.25
Druglikeness	-1.0799
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.16879
Molecular Complexity	0.75224
Fragments	1
Non H Atoms	11
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	5
Sp3 Atoms	3
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
Smiles	Cn1c(C(OC)=O)cc(N)c1
InChIKey	InChI=1S/C7H10N2O2/c1-9-4-5(8)3-6(9)7(10)11-2/h3-4H,8H2,1-2H3
InChI	DXQCQLJXMICOKQ-UHFFFAOYSA-N

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1 - Methyl-4-amino-1-methylpyrrole-2-carboxylate
2 - Methyl-4-amino-1-methylpyrrole-2-carboxylate

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Methyl-4-amino-1-methylpyrrole-2-carboxylate