[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-oxo-1H-pyridine-3-carboxylate

C15H16N2O4 — CID 2470331

IUPAC[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1C
InChIInChI=1S/C15H16N2O4/c1-9-7-12(10(2)17(9)3)13(18)8-21-15(20)11-5-4-6-16-14(11)19/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyUNVLNLVKIGKYSI-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.37
Rot. Bonds4

About [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2470331) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2470331
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1C
InChIInChI=1S/C15H16N2O4/c1-9-7-12(10(2)17(9)3)13(18)8-21-15(20)11-5-4-6-16-14(11)19/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyUNVLNLVKIGKYSI-UHFFFAOYSA-N
XLogP1.37
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2470331) is [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-oxo-1H-pyridine-3-carboxylate is Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1C.
What is the InChIKey of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is UNVLNLVKIGKYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-7-12(10(2)17(9)3)13(18)8-21-15(20)11-5-4-6-16-14(11)19/h4-7H,8H2,1-3H3,(H,16,19).
What are the key properties of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2470331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).