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

C13H19NO4 — CID 54677755

IUPACethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(C2CCCCC2)C1
InChIInChI=1S/C13H19NO4/c1-2-18-13(17)10-8-14(12(16)11(10)15)9-6-4-3-5-7-9/h9,15H,2-8H2,1H3
InChIKeyDSLCMJWJIJKORD-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.54
Rot. Bonds3

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

ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 54677755) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
PubChem CID54677755
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(C2CCCCC2)C1
InChIInChI=1S/C13H19NO4/c1-2-18-13(17)10-8-14(12(16)11(10)15)9-6-4-3-5-7-9/h9,15H,2-8H2,1H3
InChIKeyDSLCMJWJIJKORD-UHFFFAOYSA-N
XLogP1.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate (CID 54677755) is ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(O)C(=O)N(C2CCCCC2)C1.
What is the InChIKey of ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate?
The InChIKey is DSLCMJWJIJKORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-2-18-13(17)10-8-14(12(16)11(10)15)9-6-4-3-5-7-9/h9,15H,2-8H2,1H3.
What are the key properties of ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate?
ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 54677755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).