ethyl 2-ethyl-5-methoxy-1H-pyrrole-3-carboxylate

C10H15NO3 — CID 86257631

IUPACethyl 2-ethyl-5-methoxy-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(OC)[nH]c1CC
InChIInChI=1S/C10H15NO3/c1-4-8-7(10(12)14-5-2)6-9(11-8)13-3/h6,11H,4-5H2,1-3H3
InChIKeyNZCYAHWJWYYBCG-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.76
Rot. Bonds4

About ethyl 2-ethyl-5-methoxy-1H-pyrrole-3-carboxylate

ethyl 2-ethyl-5-methoxy-1H-pyrrole-3-carboxylate (PubChem CID 86257631) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 2-ethyl-5-methoxy-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-5-methoxy-1H-pyrrole-3-carboxylate
PubChem CID86257631
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 2-ethyl-5-methoxy-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(OC)[nH]c1CC
InChIInChI=1S/C10H15NO3/c1-4-8-7(10(12)14-5-2)6-9(11-8)13-3/h6,11H,4-5H2,1-3H3
InChIKeyNZCYAHWJWYYBCG-UHFFFAOYSA-N
XLogP1.76
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 5-ethyl-1H-pyrrole-2,4-dicarboxylate
CID 121015696
ethyl 5-anilino-2-ethyl-1H-pyrrole-3-carboxylate
CID 86228816
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
diethyl 2-ethyl-1H-pyrrole-3,4-dicarboxylate
CID 121015698
ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 69225135
ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate
CID 91665556
ethyl 2,3-dichloro-5-methoxybenzoate
CID 171006431
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 2-ethyl-5-methylthiophene-3-carboxylate
CID 134970605
ethyl 5-cyano-4-ethyl-2-methoxybenzoate
CID 134614242

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-5-methoxy-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-ethyl-5-methoxy-1H-pyrrole-3-carboxylate (CID 86257631) is ethyl 2-ethyl-5-methoxy-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-5-methoxy-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-ethyl-5-methoxy-1H-pyrrole-3-carboxylate is CCOC(=O)c1cc(OC)[nH]c1CC.
What is the InChIKey of ethyl 2-ethyl-5-methoxy-1H-pyrrole-3-carboxylate?
The InChIKey is NZCYAHWJWYYBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-8-7(10(12)14-5-2)6-9(11-8)13-3/h6,11H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethyl-5-methoxy-1H-pyrrole-3-carboxylate?
ethyl 2-ethyl-5-methoxy-1H-pyrrole-3-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-5-methoxy-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 86257631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).