COC(=O)C1=CC=CN1
CAS: 1193-62-0
Name: methyl 1H-pyrrole-2-carboxylate
SMILES: COC(=O)C1=CC=CN1

Molecular Processing

Molecular formula
C6H7NO2
Molecular weight
125.13
Exact mass
125.0477
XLogP
0.8
TPSA
42.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
32.13

Supplementary Information

InChIKey: VONGYFFEWFJHNP-UHFFFAOYSA-N
Synonyms
Methyl 1H-pyrrole-2-carboxylate1193-62-0Methyl pyrrole-2-carboxylate1H-pyrrole-2-carboxylic acid, methyl esterUNII-3BEG2CK3LU3BEG2CK3LUNSC-481311H-Pyrrole-2-carboxylic acid,methyl esterDTXSID501524072-(formic acid methyleester)pyrroleNSC 48131RefChem:158016DTXCID5074898Methyl 1H-pyrrole-2-carboxylic acid629-314-1InChI=1/C6H7NO2/c1-9-6(8)5-3-2-4-7-5/h2-4,7H,1HVONGYFFEWFJHNP-UHFFFAOYSA-NMethyl 2-pyrrolecarboxylateMFCD00817048Methyl1H-pyrrole-2-carboxylatePyrrole-2-carboxylic Acid Methyl EsterPyrrole-2-carboxylic acid, methyl ester; 2-Methoxycarbonylpyrrole; Methyl 2-pyrrylcarboxylate; Methyl pyrrole-2-carboxylate; NSC 48131; a-Carbomethoxypyrrolemethyl-2-pyrrolecarboxylatemethylpyrrole-2-carboxylatemethyl 1h-pyrrolecarboxylatemethyl 2-pyrrole carboxylatemethyl pyrrole-2 carboxylatemethyl-2-pyrrole carboxylatemethyl pyrrole -2-carboxylateSCHEMBL520445
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