methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate

C12H14N2O3 — CID 168693768

IUPACmethyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccncc2C)C1
InChIInChI=1S/C12H14N2O3/c1-8-6-13-4-3-10(8)14-7-9(5-11(14)15)12(16)17-2/h3-4,6,9H,5,7H2,1-2H3
InChIKeyQVSVEEBZKLPCKP-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.92
Rot. Bonds2

About methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168693768) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168693768
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccncc2C)C1
InChIInChI=1S/C12H14N2O3/c1-8-6-13-4-3-10(8)14-7-9(5-11(14)15)12(16)17-2/h3-4,6,9H,5,7H2,1-2H3
InChIKeyQVSVEEBZKLPCKP-UHFFFAOYSA-N
XLogP0.92
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate
CID 168693143
methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
CID 168695333
methyl 1-isoquinolin-8-yl-5-oxopyrrolidine-3-carboxylate
CID 168695069
methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate
CID 50873886
methyl (3R)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075686
methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693752
4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168699821
methyl 1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693863
methyl 1-(6-bromo-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693835
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl 1-(2-iodo-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168695320
methyl 1-(2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693793

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate (CID 168693768) is methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2ccncc2C)C1.
What is the InChIKey of methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is QVSVEEBZKLPCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-6-13-4-3-10(8)14-7-9(5-11(14)15)12(16)17-2/h3-4,6,9H,5,7H2,1-2H3.
What are the key properties of methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168693768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).