dimethyl 1-ethyl-4-hydroxypyrrole-2,3-dicarboxylate

C10H13NO5 — CID 139237153

IUPACdimethyl 1-ethyl-4-hydroxypyrrole-2,3-dicarboxylate
SMILESCCn1cc(O)c(C(=O)OC)c1C(=O)OC
InChIInChI=1S/C10H13NO5/c1-4-11-5-6(12)7(9(13)15-2)8(11)10(14)16-3/h5,12H,4H2,1-3H3
InChIKeyXOUHJJYHQZWZQH-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.79
Rot. Bonds3

About dimethyl 1-ethyl-4-hydroxypyrrole-2,3-dicarboxylate

dimethyl 1-ethyl-4-hydroxypyrrole-2,3-dicarboxylate (PubChem CID 139237153) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is dimethyl 1-ethyl-4-hydroxypyrrole-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-ethyl-4-hydroxypyrrole-2,3-dicarboxylate
PubChem CID139237153
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Namedimethyl 1-ethyl-4-hydroxypyrrole-2,3-dicarboxylate
SMILESCCn1cc(O)c(C(=O)OC)c1C(=O)OC
InChIInChI=1S/C10H13NO5/c1-4-11-5-6(12)7(9(13)15-2)8(11)10(14)16-3/h5,12H,4H2,1-3H3
InChIKeyXOUHJJYHQZWZQH-UHFFFAOYSA-N
XLogP0.79
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-ethyl-4-hydroxypyrrole-2,3-dicarboxylate?
The IUPAC name of dimethyl 1-ethyl-4-hydroxypyrrole-2,3-dicarboxylate (CID 139237153) is dimethyl 1-ethyl-4-hydroxypyrrole-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-ethyl-4-hydroxypyrrole-2,3-dicarboxylate?
The canonical SMILES for dimethyl 1-ethyl-4-hydroxypyrrole-2,3-dicarboxylate is CCn1cc(O)c(C(=O)OC)c1C(=O)OC.
What is the InChIKey of dimethyl 1-ethyl-4-hydroxypyrrole-2,3-dicarboxylate?
The InChIKey is XOUHJJYHQZWZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-4-11-5-6(12)7(9(13)15-2)8(11)10(14)16-3/h5,12H,4H2,1-3H3.
What are the key properties of dimethyl 1-ethyl-4-hydroxypyrrole-2,3-dicarboxylate?
dimethyl 1-ethyl-4-hydroxypyrrole-2,3-dicarboxylate has a molecular weight of 227.22 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-ethyl-4-hydroxypyrrole-2,3-dicarboxylate is sourced from PubChem (CID 139237153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).