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

C14H15NO2 — CID 10704591

IUPACethyl 4-methyl-3-phenyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(C)c1-c1ccccc1
InChIInChI=1S/C14H15NO2/c1-3-17-14(16)13-12(10(2)9-15-13)11-7-5-4-6-8-11/h4-9,15H,3H2,1-2H3
InChIKeyZXBOCLDHYGJYDU-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.17
Rot. Bonds3

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

ethyl 4-methyl-3-phenyl-1H-pyrrole-2-carboxylate (PubChem CID 10704591) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 4-methyl-3-phenyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-3-phenyl-1H-pyrrole-2-carboxylate
PubChem CID10704591
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Nameethyl 4-methyl-3-phenyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(C)c1-c1ccccc1
InChIInChI=1S/C14H15NO2/c1-3-17-14(16)13-12(10(2)9-15-13)11-7-5-4-6-8-11/h4-9,15H,3H2,1-2H3
InChIKeyZXBOCLDHYGJYDU-UHFFFAOYSA-N
XLogP3.17
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate
CID 563688
Ethyl 2-methyl-4-phenyl-1h-pyrrole-3-carboxylate
CID 230431
Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate
CID 657433
benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2738239
Benzyl 5-[(acetyloxy)methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate
CID 563951
2-Methyl-4-phenyl-1H-pyrrole-3-carboxylic acid methyl ester
CID 910657
Benzyl 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate
CID 698834
Methyl 5-phenyl-1H-pyrrole-2-carboxylate
CID 11217902
Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 4182378
Ethyl 3-methyl-1H-pyrrole-2-carboxylate
CID 5324582
ethyl 3,5-dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxylate
CID 146020611
methyl 4-propionyl-1H-pyrrole-2-carboxylate
CID 40148016

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-3-phenyl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-methyl-3-phenyl-1H-pyrrole-2-carboxylate (CID 10704591) is ethyl 4-methyl-3-phenyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-methyl-3-phenyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-methyl-3-phenyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]cc(C)c1-c1ccccc1.
What is the InChIKey of ethyl 4-methyl-3-phenyl-1H-pyrrole-2-carboxylate?
The InChIKey is ZXBOCLDHYGJYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-17-14(16)13-12(10(2)9-15-13)11-7-5-4-6-8-11/h4-9,15H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-3-phenyl-1H-pyrrole-2-carboxylate?
ethyl 4-methyl-3-phenyl-1H-pyrrole-2-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-3-phenyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 10704591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).