methyl 1-amino-3-phenylpyrrole-2-carboxylate

C12H12N2O2 — CID 90386150

IUPACmethyl 1-amino-3-phenylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)ccn1N
InChIInChI=1S/C12H12N2O2/c1-16-12(15)11-10(7-8-14(11)13)9-5-3-2-4-6-9/h2-8H,13H2,1H3
InChIKeyVRKDEFZFAGEWHC-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.66
Rot. Bonds2

About methyl 1-amino-3-phenylpyrrole-2-carboxylate

methyl 1-amino-3-phenylpyrrole-2-carboxylate (PubChem CID 90386150) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 1-amino-3-phenylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-phenylpyrrole-2-carboxylate
PubChem CID90386150
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Namemethyl 1-amino-3-phenylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)ccn1N
InChIInChI=1S/C12H12N2O2/c1-16-12(15)11-10(7-8-14(11)13)9-5-3-2-4-6-9/h2-8H,13H2,1H3
InChIKeyVRKDEFZFAGEWHC-UHFFFAOYSA-N
XLogP1.66
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-phenyl-1-sulfamoylpyrrole-2-carboxylate
CID 166676966
methyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate
CID 117222996
methyl 3-(3-aminophenyl)-1-propan-2-ylpyrrole-2-carboxylate
CID 117222948
methyl 2,4-diphenylthiophene-3-carboxylate
CID 12733358
methyl 3-hydroxy-4-phenylthiophene-2-carboxylate
CID 54696198
methyl 4-amino-2-phenylbenzoate
CID 15406988
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
ethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate
CID 169237726
dimethyl 1-phenyl-3-(2-phenylphenyl)pyrazole-4,5-dicarboxylate
CID 169387538
methyl 1-benzyl-5-fluoro-3,4-diphenylpyrrole-2-carboxylate
CID 175003273
methyl 5-methyl-2-phenylbenzoate;5-methyl-2-phenylbenzoic acid
CID 70270036
methyl 2-amino-4-methyl-5-phenylbenzoate
CID 113445321

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-phenylpyrrole-2-carboxylate?
The IUPAC name of methyl 1-amino-3-phenylpyrrole-2-carboxylate (CID 90386150) is methyl 1-amino-3-phenylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-amino-3-phenylpyrrole-2-carboxylate?
The canonical SMILES for methyl 1-amino-3-phenylpyrrole-2-carboxylate is COC(=O)c1c(-c2ccccc2)ccn1N.
What is the InChIKey of methyl 1-amino-3-phenylpyrrole-2-carboxylate?
The InChIKey is VRKDEFZFAGEWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-12(15)11-10(7-8-14(11)13)9-5-3-2-4-6-9/h2-8H,13H2,1H3.
What are the key properties of methyl 1-amino-3-phenylpyrrole-2-carboxylate?
methyl 1-amino-3-phenylpyrrole-2-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-phenylpyrrole-2-carboxylate is sourced from PubChem (CID 90386150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).