ethyl 4-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylate

C10H15NO4 — CID 54697108

IUPACethyl 4-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(C(C)C)C1
InChIInChI=1S/C10H15NO4/c1-4-15-10(14)7-5-11(6(2)3)9(13)8(7)12/h6,12H,4-5H2,1-3H3
InChIKeyUEIZDYRAMWUNRV-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.61
Rot. Bonds3

About ethyl 4-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylate

ethyl 4-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylate (PubChem CID 54697108) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is ethyl 4-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylate
PubChem CID54697108
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameethyl 4-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(C(C)C)C1
InChIInChI=1S/C10H15NO4/c1-4-15-10(14)7-5-11(6(2)3)9(13)8(7)12/h6,12H,4-5H2,1-3H3
InChIKeyUEIZDYRAMWUNRV-UHFFFAOYSA-N
XLogP0.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylate (CID 54697108) is ethyl 4-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(O)C(=O)N(C(C)C)C1.
What is the InChIKey of ethyl 4-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylate?
The InChIKey is UEIZDYRAMWUNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-4-15-10(14)7-5-11(6(2)3)9(13)8(7)12/h6,12H,4-5H2,1-3H3.
What are the key properties of ethyl 4-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylate?
ethyl 4-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylate has a molecular weight of 213.23 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 54697108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).