methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate

C14H18N2O4 — CID 43623785

IUPACmethyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C14H18N2O4/c1-8-7-9(2)15-12(17)11(8)13(18)16-6-4-5-10(16)14(19)20-3/h7,10H,4-6H2,1-3H3,(H,15,17)
InChIKeyLRFOQWOIGXYILJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.77
Rot. Bonds2

About methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 43623785) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID43623785
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C14H18N2O4/c1-8-7-9(2)15-12(17)11(8)13(18)16-6-4-5-10(16)14(19)20-3/h7,10H,4-6H2,1-3H3,(H,15,17)
InChIKeyLRFOQWOIGXYILJ-UHFFFAOYSA-N
XLogP0.77
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate (CID 43623785) is methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1c(C)cc(C)[nH]c1=O.
What is the InChIKey of methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is LRFOQWOIGXYILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-7-9(2)15-12(17)11(8)13(18)16-6-4-5-10(16)14(19)20-3/h7,10H,4-6H2,1-3H3,(H,15,17).
What are the key properties of methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 43623785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).