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

C15H17NO3 — CID 134973590

IUPACethyl 4-methyl-3-phenylmethoxy-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(C)c1OCc1ccccc1
InChIInChI=1S/C15H17NO3/c1-3-18-15(17)13-14(11(2)9-16-13)19-10-12-7-5-4-6-8-12/h4-9,16H,3,10H2,1-2H3
InChIKeyLZWDFKMUDMGNNB-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.08
Rot. Bonds5

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

ethyl 4-methyl-3-phenylmethoxy-1H-pyrrole-2-carboxylate (PubChem CID 134973590) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 4-methyl-3-phenylmethoxy-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-3-phenylmethoxy-1H-pyrrole-2-carboxylate
PubChem CID134973590
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl 4-methyl-3-phenylmethoxy-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(C)c1OCc1ccccc1
InChIInChI=1S/C15H17NO3/c1-3-18-15(17)13-14(11(2)9-16-13)19-10-12-7-5-4-6-8-12/h4-9,16H,3,10H2,1-2H3
InChIKeyLZWDFKMUDMGNNB-UHFFFAOYSA-N
XLogP3.08
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-3-phenylmethoxy-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-methyl-3-phenylmethoxy-1H-pyrrole-2-carboxylate (CID 134973590) is ethyl 4-methyl-3-phenylmethoxy-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-methyl-3-phenylmethoxy-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-methyl-3-phenylmethoxy-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]cc(C)c1OCc1ccccc1.
What is the InChIKey of ethyl 4-methyl-3-phenylmethoxy-1H-pyrrole-2-carboxylate?
The InChIKey is LZWDFKMUDMGNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-18-15(17)13-14(11(2)9-16-13)19-10-12-7-5-4-6-8-12/h4-9,16H,3,10H2,1-2H3.
What are the key properties of ethyl 4-methyl-3-phenylmethoxy-1H-pyrrole-2-carboxylate?
ethyl 4-methyl-3-phenylmethoxy-1H-pyrrole-2-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-3-phenylmethoxy-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 134973590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).