methyl 8-fluoro-9-oxo-9-pyrrolidin-1-ylnonanoate

C14H24FNO3 — CID 135391088

IUPACmethyl 8-fluoro-9-oxo-9-pyrrolidin-1-ylnonanoate
SMILESCOC(=O)CCCCCCC(F)C(=O)N1CCCC1
InChIInChI=1S/C14H24FNO3/c1-19-13(17)9-5-3-2-4-8-12(15)14(18)16-10-6-7-11-16/h12H,2-11H2,1H3
InChIKeyYRUJYDVCRSXFAW-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.46
Rot. Bonds8

About methyl 8-fluoro-9-oxo-9-pyrrolidin-1-ylnonanoate

methyl 8-fluoro-9-oxo-9-pyrrolidin-1-ylnonanoate (PubChem CID 135391088) has the molecular formula C14H24FNO3 and a molecular weight of 273.35 g/mol. Its IUPAC name is methyl 8-fluoro-9-oxo-9-pyrrolidin-1-ylnonanoate.

Molecular Properties

Compound Namemethyl 8-fluoro-9-oxo-9-pyrrolidin-1-ylnonanoate
PubChem CID135391088
Molecular FormulaC14H24FNO3
Molecular Weight273.35 g/mol
Exact Mass273.17
IUPAC Namemethyl 8-fluoro-9-oxo-9-pyrrolidin-1-ylnonanoate
SMILESCOC(=O)CCCCCCC(F)C(=O)N1CCCC1
InChIInChI=1S/C14H24FNO3/c1-19-13(17)9-5-3-2-4-8-12(15)14(18)16-10-6-7-11-16/h12H,2-11H2,1H3
InChIKeyYRUJYDVCRSXFAW-UHFFFAOYSA-N
XLogP2.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 8-fluoro-9-oxo-9-pyrrolidin-1-ylnonanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 8-fluoro-9-oxo-9-pyrrolidin-1-ylnonanoate?
The IUPAC name of methyl 8-fluoro-9-oxo-9-pyrrolidin-1-ylnonanoate (CID 135391088) is methyl 8-fluoro-9-oxo-9-pyrrolidin-1-ylnonanoate.
What is the SMILES notation for methyl 8-fluoro-9-oxo-9-pyrrolidin-1-ylnonanoate?
The canonical SMILES for methyl 8-fluoro-9-oxo-9-pyrrolidin-1-ylnonanoate is COC(=O)CCCCCCC(F)C(=O)N1CCCC1.
What is the InChIKey of methyl 8-fluoro-9-oxo-9-pyrrolidin-1-ylnonanoate?
The InChIKey is YRUJYDVCRSXFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO3/c1-19-13(17)9-5-3-2-4-8-12(15)14(18)16-10-6-7-11-16/h12H,2-11H2,1H3.
What are the key properties of methyl 8-fluoro-9-oxo-9-pyrrolidin-1-ylnonanoate?
methyl 8-fluoro-9-oxo-9-pyrrolidin-1-ylnonanoate has a molecular weight of 273.35 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-fluoro-9-oxo-9-pyrrolidin-1-ylnonanoate is sourced from PubChem (CID 135391088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).