methyl 1-(3-fluoropropyl)-5-oxopyrrolidine-3-carboxylate

C9H14FNO3 — CID 175309051

IUPACmethyl 1-(3-fluoropropyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(CCCF)C1
InChIInChI=1S/C9H14FNO3/c1-14-9(13)7-5-8(12)11(6-7)4-2-3-10/h7H,2-6H2,1H3
InChIKeyWGRRWJHAXDAMAR-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.37
Rot. Bonds4

About methyl 1-(3-fluoropropyl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(3-fluoropropyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 175309051) has the molecular formula C9H14FNO3 and a molecular weight of 203.21 g/mol. Its IUPAC name is methyl 1-(3-fluoropropyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-fluoropropyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID175309051
Molecular FormulaC9H14FNO3
Molecular Weight203.21 g/mol
Exact Mass203.10
IUPAC Namemethyl 1-(3-fluoropropyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(CCCF)C1
InChIInChI=1S/C9H14FNO3/c1-14-9(13)7-5-8(12)11(6-7)4-2-3-10/h7H,2-6H2,1H3
InChIKeyWGRRWJHAXDAMAR-UHFFFAOYSA-N
XLogP0.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-fluoropropyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-fluoropropyl)-5-oxopyrrolidine-3-carboxylate (CID 175309051) is methyl 1-(3-fluoropropyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-fluoropropyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-fluoropropyl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(CCCF)C1.
What is the InChIKey of methyl 1-(3-fluoropropyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is WGRRWJHAXDAMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO3/c1-14-9(13)7-5-8(12)11(6-7)4-2-3-10/h7H,2-6H2,1H3.
What are the key properties of methyl 1-(3-fluoropropyl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(3-fluoropropyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 203.21 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-fluoropropyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 175309051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).