ethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate

C18H18N2O2 — CID 67945560

IUPACethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cn(-n2cccc2)c1C
InChIInChI=1S/C18H18N2O2/c1-3-22-18(21)17-14(2)20(19-11-7-8-12-19)13-16(17)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3
InChIKeySYJMFYRGDUIWMM-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.75
Rot. Bonds4

About ethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate

ethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate (PubChem CID 67945560) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate
PubChem CID67945560
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Nameethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cn(-n2cccc2)c1C
InChIInChI=1S/C18H18N2O2/c1-3-22-18(21)17-14(2)20(19-11-7-8-12-19)13-16(17)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3
InChIKeySYJMFYRGDUIWMM-UHFFFAOYSA-N
XLogP3.75
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate
CID 10852115
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
CID 170911124
diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
CID 66570713
ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate
CID 71764017
ethyl 2-(4-bromophenyl)indolizine-1-carboxylate
CID 2763725
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815
ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
CID 2763622
ethyl 4-oxo-7-phenyl-2-sulfanylidene-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate
CID 11449878
ethyl 2-aminoazulene-1-carboxylate
CID 11458568
ethyl 2-amino-3-chloro-6-phenylbenzoate
CID 107529091
ethyl 4-phenyl-2-sulfanylidene-1H-pyridine-3-carboxylate
CID 135563860

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate?
The IUPAC name of ethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate (CID 67945560) is ethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)cn(-n2cccc2)c1C.
What is the InChIKey of ethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate?
The InChIKey is SYJMFYRGDUIWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-22-18(21)17-14(2)20(19-11-7-8-12-19)13-16(17)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate?
ethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate is sourced from PubChem (CID 67945560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).