methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate

C11H12N2O3 — CID 168695333

IUPACmethyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccncc2)C1
InChIInChI=1S/C11H12N2O3/c1-16-11(15)8-6-10(14)13(7-8)9-2-4-12-5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyGVZJURGUVYUITB-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.61
Rot. Bonds2

About methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate

methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate (PubChem CID 168695333) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
PubChem CID168695333
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccncc2)C1
InChIInChI=1S/C11H12N2O3/c1-16-11(15)8-6-10(14)13(7-8)9-2-4-12-5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyGVZJURGUVYUITB-UHFFFAOYSA-N
XLogP0.61
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl 5-oxo-1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-3-carboxylate
CID 50879682
methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate
CID 50873886
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693768
methyl 1-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693266
methyl 1-(4-carbamothioylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 134112418
methyl 1-[4-(2-methoxy-2-oxoethyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693290
methyl 5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 10084873
methyl 1-(6-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694752
methyl (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 804856
methyl (3R)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 125424343

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate (CID 168695333) is methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2ccncc2)C1.
What is the InChIKey of methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate?
The InChIKey is GVZJURGUVYUITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-16-11(15)8-6-10(14)13(7-8)9-2-4-12-5-3-9/h2-5,8H,6-7H2,1H3.
What are the key properties of methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate?
methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 168695333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).