methyl 1-(2-fluoropyrimidin-4-yl)-5-oxopyrrolidine-2-carboxylate

C10H10FN3O3 — CID 90464886

IUPACmethyl 1-(2-fluoropyrimidin-4-yl)-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(=O)N1c1ccnc(F)n1
InChIInChI=1S/C10H10FN3O3/c1-17-9(16)6-2-3-8(15)14(6)7-4-5-12-10(11)13-7/h4-6H,2-3H2,1H3
InChIKeyZLTBAZCCIUPHPQ-UHFFFAOYSA-N
MW239.21 g/mol
LogP0.28
Rot. Bonds2

About methyl 1-(2-fluoropyrimidin-4-yl)-5-oxopyrrolidine-2-carboxylate

methyl 1-(2-fluoropyrimidin-4-yl)-5-oxopyrrolidine-2-carboxylate (PubChem CID 90464886) has the molecular formula C10H10FN3O3 and a molecular weight of 239.21 g/mol. Its IUPAC name is methyl 1-(2-fluoropyrimidin-4-yl)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluoropyrimidin-4-yl)-5-oxopyrrolidine-2-carboxylate
PubChem CID90464886
Molecular FormulaC10H10FN3O3
Molecular Weight239.21 g/mol
Exact Mass239.07
IUPAC Namemethyl 1-(2-fluoropyrimidin-4-yl)-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(=O)N1c1ccnc(F)n1
InChIInChI=1S/C10H10FN3O3/c1-17-9(16)6-2-3-8(15)14(6)7-4-5-12-10(11)13-7/h4-6H,2-3H2,1H3
InChIKeyZLTBAZCCIUPHPQ-UHFFFAOYSA-N
XLogP0.28
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluoropyrimidin-4-yl)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(2-fluoropyrimidin-4-yl)-5-oxopyrrolidine-2-carboxylate (CID 90464886) is methyl 1-(2-fluoropyrimidin-4-yl)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-fluoropyrimidin-4-yl)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-fluoropyrimidin-4-yl)-5-oxopyrrolidine-2-carboxylate is COC(=O)C1CCC(=O)N1c1ccnc(F)n1.
What is the InChIKey of methyl 1-(2-fluoropyrimidin-4-yl)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is ZLTBAZCCIUPHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3/c1-17-9(16)6-2-3-8(15)14(6)7-4-5-12-10(11)13-7/h4-6H,2-3H2,1H3.
What are the key properties of methyl 1-(2-fluoropyrimidin-4-yl)-5-oxopyrrolidine-2-carboxylate?
methyl 1-(2-fluoropyrimidin-4-yl)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 239.21 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluoropyrimidin-4-yl)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 90464886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).