(6-ethyl-3-oxo-2H-pyridin-4-yl) 1H-pyrrole-2-carboxylate

C12H12N2O3 — CID 170205912

IUPAC(6-ethyl-3-oxo-2H-pyridin-4-yl) 1H-pyrrole-2-carboxylate
SMILESCCC1=NCC(=O)C(OC(=O)c2ccc[nH]2)=C1
InChIInChI=1S/C12H12N2O3/c1-2-8-6-11(10(15)7-14-8)17-12(16)9-4-3-5-13-9/h3-6,13H,2,7H2,1H3
InChIKeyMECOUFZHOIJVBM-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.49
Rot. Bonds3

About (6-ethyl-3-oxo-2H-pyridin-4-yl) 1H-pyrrole-2-carboxylate

(6-ethyl-3-oxo-2H-pyridin-4-yl) 1H-pyrrole-2-carboxylate (PubChem CID 170205912) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (6-ethyl-3-oxo-2H-pyridin-4-yl) 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name(6-ethyl-3-oxo-2H-pyridin-4-yl) 1H-pyrrole-2-carboxylate
PubChem CID170205912
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(6-ethyl-3-oxo-2H-pyridin-4-yl) 1H-pyrrole-2-carboxylate
SMILESCCC1=NCC(=O)C(OC(=O)c2ccc[nH]2)=C1
InChIInChI=1S/C12H12N2O3/c1-2-8-6-11(10(15)7-14-8)17-12(16)9-4-3-5-13-9/h3-6,13H,2,7H2,1H3
InChIKeyMECOUFZHOIJVBM-UHFFFAOYSA-N
XLogP1.49
TPSA71.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-3-oxo-2H-pyridin-4-yl) 1H-pyrrole-2-carboxylate?
The IUPAC name of (6-ethyl-3-oxo-2H-pyridin-4-yl) 1H-pyrrole-2-carboxylate (CID 170205912) is (6-ethyl-3-oxo-2H-pyridin-4-yl) 1H-pyrrole-2-carboxylate.
What is the SMILES notation for (6-ethyl-3-oxo-2H-pyridin-4-yl) 1H-pyrrole-2-carboxylate?
The canonical SMILES for (6-ethyl-3-oxo-2H-pyridin-4-yl) 1H-pyrrole-2-carboxylate is CCC1=NCC(=O)C(OC(=O)c2ccc[nH]2)=C1.
What is the InChIKey of (6-ethyl-3-oxo-2H-pyridin-4-yl) 1H-pyrrole-2-carboxylate?
The InChIKey is MECOUFZHOIJVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-8-6-11(10(15)7-14-8)17-12(16)9-4-3-5-13-9/h3-6,13H,2,7H2,1H3.
What are the key properties of (6-ethyl-3-oxo-2H-pyridin-4-yl) 1H-pyrrole-2-carboxylate?
(6-ethyl-3-oxo-2H-pyridin-4-yl) 1H-pyrrole-2-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-3-oxo-2H-pyridin-4-yl) 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 170205912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).