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

C12H14N2O4 — CID 43388593

IUPACmethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H14N2O4/c1-18-12(17)9-3-2-6-14(9)11(16)8-4-5-10(15)13-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,13,15)
InChIKeyOANMIRLBAFDOOD-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.15
Rot. Bonds2

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

methyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 43388593) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is methyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID43388593
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Namemethyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H14N2O4/c1-18-12(17)9-3-2-6-14(9)11(16)8-4-5-10(15)13-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,13,15)
InChIKeyOANMIRLBAFDOOD-UHFFFAOYSA-N
XLogP0.15
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate (CID 43388593) is methyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of methyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is OANMIRLBAFDOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-18-12(17)9-3-2-6-14(9)11(16)8-4-5-10(15)13-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,13,15).
What are the key properties of methyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 250.25 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 43388593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).