methyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate

C12H12N2O2 — CID 117222306

IUPACmethyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccccc2N)[nH]1
InChIInChI=1S/C12H12N2O2/c1-16-12(15)11-7-6-10(14-11)8-4-2-3-5-9(8)13/h2-7,14H,13H2,1H3
InChIKeyUOXZAAPGTIOZSL-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.05
Rot. Bonds2

About methyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate

methyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate (PubChem CID 117222306) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate
PubChem CID117222306
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Namemethyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccccc2N)[nH]1
InChIInChI=1S/C12H12N2O2/c1-16-12(15)11-7-6-10(14-11)8-4-2-3-5-9(8)13/h2-7,14H,13H2,1H3
InChIKeyUOXZAAPGTIOZSL-UHFFFAOYSA-N
XLogP2.05
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 5-(2-bromophenyl)-1H-pyrrole-2-carboxylate
CID 117222354
methyl 4-amino-1H-indole-2-carboxylate
CID 19955413
1,3-bis[5-(2-methoxyphenyl)-1H-pyrrol-2-yl]propane-1,3-dione
CID 102394420
methyl 7-amino-1H-indole-2-carboxylate
CID 18550972
methyl 5-(2-formylthiophen-3-yl)-1H-pyrrole-2-carboxylate
CID 12748825
methyl 5-[1-benzyl-5-[1-benzyl-5-[1-benzyl-5-(5-methoxycarbonyl-1H-pyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-1H-pyrrole-2-carboxylate
CID 101456575
methyl 4,5-dioxo-1H-benzo[g]indole-2-carboxylate
CID 14969611
methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 102453349
methyl 5-fluoro-1H-pyrrole-2-carboxylate
CID 118498377
methyl 2-(2-aminobenzoyl)benzoate
CID 83381352
methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate
CID 141074208
methyl 5-(2-methoxy-2-oxoacetyl)-1H-pyrrole-2-carboxylate
CID 44718745

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate (CID 117222306) is methyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate is COC(=O)c1ccc(-c2ccccc2N)[nH]1.
What is the InChIKey of methyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate?
The InChIKey is UOXZAAPGTIOZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-12(15)11-7-6-10(14-11)8-4-2-3-5-9(8)13/h2-7,14H,13H2,1H3.
What are the key properties of methyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate?
methyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 117222306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).