methyl 5-ethenyl-2-(4-methoxyphenyl)-1-phenylpyrrole-3-carboxylate

C21H19NO3 — CID 102309545

IUPACmethyl 5-ethenyl-2-(4-methoxyphenyl)-1-phenylpyrrole-3-carboxylate
SMILESC=Cc1cc(C(=O)OC)c(-c2ccc(OC)cc2)n1-c1ccccc1
InChIInChI=1S/C21H19NO3/c1-4-16-14-19(21(23)25-3)20(15-10-12-18(24-2)13-11-15)22(16)17-8-6-5-7-9-17/h4-14H,1H2,2-3H3
InChIKeyMYNCTGIGUCKANL-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.58
Rot. Bonds5

About methyl 5-ethenyl-2-(4-methoxyphenyl)-1-phenylpyrrole-3-carboxylate

methyl 5-ethenyl-2-(4-methoxyphenyl)-1-phenylpyrrole-3-carboxylate (PubChem CID 102309545) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is methyl 5-ethenyl-2-(4-methoxyphenyl)-1-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethenyl-2-(4-methoxyphenyl)-1-phenylpyrrole-3-carboxylate
PubChem CID102309545
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Namemethyl 5-ethenyl-2-(4-methoxyphenyl)-1-phenylpyrrole-3-carboxylate
SMILESC=Cc1cc(C(=O)OC)c(-c2ccc(OC)cc2)n1-c1ccccc1
InChIInChI=1S/C21H19NO3/c1-4-16-14-19(21(23)25-3)20(15-10-12-18(24-2)13-11-15)22(16)17-8-6-5-7-9-17/h4-14H,1H2,2-3H3
InChIKeyMYNCTGIGUCKANL-UHFFFAOYSA-N
XLogP4.58
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 2-fluoro-5-(4-methoxyphenyl)-1-phenylpyrrole-3,4-dicarboxylate
CID 10524017
methyl 2-[3-bromo-5-formyl-2-(4-methoxyphenyl)pyrrol-1-yl]benzoate
CID 129267315
methyl 1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)pyrrole-3-carboxylate
CID 101437272
dimethyl 4-(4-methoxyphenyl)benzene-1,2-dicarboxylate
CID 135017986
methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450
ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate
CID 59324439
methyl 2-[2,3-bis(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]benzoate
CID 129267303
dimethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrrole-2,3-dicarboxylate
CID 139216437
methyl 2-ethenyl-4-phenoxybenzoate
CID 154641334
methyl 2-ethenylquinoline-4-carboxylate
CID 150736988
methyl 2-ethenylbenzoate;prop-2-enoic acid
CID 175189023
2-ethenyl-5-(4-methoxyphenyl)benzoic acid
CID 91479677

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethenyl-2-(4-methoxyphenyl)-1-phenylpyrrole-3-carboxylate?
The IUPAC name of methyl 5-ethenyl-2-(4-methoxyphenyl)-1-phenylpyrrole-3-carboxylate (CID 102309545) is methyl 5-ethenyl-2-(4-methoxyphenyl)-1-phenylpyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-ethenyl-2-(4-methoxyphenyl)-1-phenylpyrrole-3-carboxylate?
The canonical SMILES for methyl 5-ethenyl-2-(4-methoxyphenyl)-1-phenylpyrrole-3-carboxylate is C=Cc1cc(C(=O)OC)c(-c2ccc(OC)cc2)n1-c1ccccc1.
What is the InChIKey of methyl 5-ethenyl-2-(4-methoxyphenyl)-1-phenylpyrrole-3-carboxylate?
The InChIKey is MYNCTGIGUCKANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-4-16-14-19(21(23)25-3)20(15-10-12-18(24-2)13-11-15)22(16)17-8-6-5-7-9-17/h4-14H,1H2,2-3H3.
What are the key properties of methyl 5-ethenyl-2-(4-methoxyphenyl)-1-phenylpyrrole-3-carboxylate?
methyl 5-ethenyl-2-(4-methoxyphenyl)-1-phenylpyrrole-3-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethenyl-2-(4-methoxyphenyl)-1-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 102309545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).