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

C13H16N2O4 — CID 115589993

IUPACmethyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccc(C)[nH]c1=O
InChIInChI=1S/C13H16N2O4/c1-8-5-6-9(11(16)14-8)12(17)15-7-3-4-10(15)13(18)19-2/h5-6,10H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyKQXJEYFYYOYSSN-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.46
Rot. Bonds2

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

methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 115589993) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID115589993
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccc(C)[nH]c1=O
InChIInChI=1S/C13H16N2O4/c1-8-5-6-9(11(16)14-8)12(17)15-7-3-4-10(15)13(18)19-2/h5-6,10H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyKQXJEYFYYOYSSN-UHFFFAOYSA-N
XLogP0.46
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate (CID 115589993) is methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1ccc(C)[nH]c1=O.
What is the InChIKey of methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is KQXJEYFYYOYSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8-5-6-9(11(16)14-8)12(17)15-7-3-4-10(15)13(18)19-2/h5-6,10H,3-4,7H2,1-2H3,(H,14,16).
What are the key properties of methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 115589993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).