ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate

C13H16N2O4 — CID 55006204

IUPACethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H16N2O4/c1-2-19-13(18)10-4-3-7-15(10)12(17)9-5-6-11(16)14-8-9/h5-6,8,10H,2-4,7H2,1H3,(H,14,16)
InChIKeyOBGYJKHMUSNWGC-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.54
Rot. Bonds3

About ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate

ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 55006204) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID55006204
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Nameethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H16N2O4/c1-2-19-13(18)10-4-3-7-15(10)12(17)9-5-6-11(16)14-8-9/h5-6,8,10H,2-4,7H2,1H3,(H,14,16)
InChIKeyOBGYJKHMUSNWGC-UHFFFAOYSA-N
XLogP0.54
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate (CID 55006204) is ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is OBGYJKHMUSNWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-2-19-13(18)10-4-3-7-15(10)12(17)9-5-6-11(16)14-8-9/h5-6,8,10H,2-4,7H2,1H3,(H,14,16).
What are the key properties of ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 55006204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).