ethyl 1-ethyl-4-methoxy-5-oxo-2H-pyrrole-3-carboxylate

C10H15NO4 — CID 39733378

IUPACethyl 1-ethyl-4-methoxy-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(OC)C(=O)N(CC)C1
InChIInChI=1S/C10H15NO4/c1-4-11-6-7(10(13)15-5-2)8(14-3)9(11)12/h4-6H2,1-3H3
InChIKeyVKJRSZDRCBIKEW-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.31
Rot. Bonds4

About ethyl 1-ethyl-4-methoxy-5-oxo-2H-pyrrole-3-carboxylate

ethyl 1-ethyl-4-methoxy-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 39733378) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is ethyl 1-ethyl-4-methoxy-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-methoxy-5-oxo-2H-pyrrole-3-carboxylate
PubChem CID39733378
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameethyl 1-ethyl-4-methoxy-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(OC)C(=O)N(CC)C1
InChIInChI=1S/C10H15NO4/c1-4-11-6-7(10(13)15-5-2)8(14-3)9(11)12/h4-6H2,1-3H3
InChIKeyVKJRSZDRCBIKEW-UHFFFAOYSA-N
XLogP0.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-methoxy-5-oxo-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-methoxy-5-oxo-2H-pyrrole-3-carboxylate (CID 39733378) is ethyl 1-ethyl-4-methoxy-5-oxo-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-methoxy-5-oxo-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-methoxy-5-oxo-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(OC)C(=O)N(CC)C1.
What is the InChIKey of ethyl 1-ethyl-4-methoxy-5-oxo-2H-pyrrole-3-carboxylate?
The InChIKey is VKJRSZDRCBIKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-4-11-6-7(10(13)15-5-2)8(14-3)9(11)12/h4-6H2,1-3H3.
What are the key properties of ethyl 1-ethyl-4-methoxy-5-oxo-2H-pyrrole-3-carboxylate?
ethyl 1-ethyl-4-methoxy-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 213.23 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-methoxy-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 39733378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).