ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate

C13H14N2O2 — CID 2763622

IUPACethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c[nH]c1N
InChIInChI=1S/C13H14N2O2/c1-2-17-13(16)11-10(8-15-12(11)14)9-6-4-3-5-7-9/h3-8,15H,2,14H2,1H3
InChIKeyYRZHKCQCHAZCNB-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.44
Rot. Bonds3

About ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate

ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate (PubChem CID 2763622) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
PubChem CID2763622
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Nameethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c[nH]c1N
InChIInChI=1S/C13H14N2O2/c1-2-17-13(16)11-10(8-15-12(11)14)9-6-4-3-5-7-9/h3-8,15H,2,14H2,1H3
InChIKeyYRZHKCQCHAZCNB-UHFFFAOYSA-N
XLogP2.44
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-phenyl-2-sulfanylidene-1H-pyridine-3-carboxylate
CID 135563860
2-[2-(2-methyl-4-phenyl-1H-pyrrole-3-carbonyl)oxyethylsulfanyl]ethyl 2-methyl-4-phenyl-1H-pyrrole-3-carboxylate
CID 70532410
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 2-aminoazulene-1-carboxylate
CID 11458568
ethyl 3-phenyl-1H-pyrrole-2-carboxylate
CID 11790592
ethyl 2-amino-3-chloro-6-phenylbenzoate
CID 107529091
ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
CID 170911124
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815
ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate
CID 10852115
diethyl 2-chloro-4-phenylazulene-1,3-dicarboxylate
CID 10500140
ethyl 4-(hydroxymethyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 15398787
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate (CID 2763622) is ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)c[nH]c1N.
What is the InChIKey of ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate?
The InChIKey is YRZHKCQCHAZCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-17-13(16)11-10(8-15-12(11)14)9-6-4-3-5-7-9/h3-8,15H,2,14H2,1H3.
What are the key properties of ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate?
ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 2763622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).