3-fluoro-4-methoxy-1-propylpyrrolidine-2,5-dione

C8H12FNO3 — CID 594914

IUPAC3-fluoro-4-methoxy-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)C(F)C(OC)C1=O
InChIInChI=1S/C8H12FNO3/c1-3-4-10-7(11)5(9)6(13-2)8(10)12/h5-6H,3-4H2,1-2H3
InChIKeyGHSQRRSSGRAUNQ-UHFFFAOYSA-N
MW189.19 g/mol
LogP0.12
Rot. Bonds3

About 3-fluoro-4-methoxy-1-propylpyrrolidine-2,5-dione

3-fluoro-4-methoxy-1-propylpyrrolidine-2,5-dione (PubChem CID 594914) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-fluoro-4-methoxy-1-propylpyrrolidine-2,5-dione
PubChem CID594914
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Name3-fluoro-4-methoxy-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)C(F)C(OC)C1=O
InChIInChI=1S/C8H12FNO3/c1-3-4-10-7(11)5(9)6(13-2)8(10)12/h5-6H,3-4H2,1-2H3
InChIKeyGHSQRRSSGRAUNQ-UHFFFAOYSA-N
XLogP0.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-fluoro-4-methoxy-1-propylpyrrolidine-2,5-dione (CID 594914) is 3-fluoro-4-methoxy-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-fluoro-4-methoxy-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-fluoro-4-methoxy-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)C(F)C(OC)C1=O.
What is the InChIKey of 3-fluoro-4-methoxy-1-propylpyrrolidine-2,5-dione?
The InChIKey is GHSQRRSSGRAUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO3/c1-3-4-10-7(11)5(9)6(13-2)8(10)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-1-propylpyrrolidine-2,5-dione?
3-fluoro-4-methoxy-1-propylpyrrolidine-2,5-dione has a molecular weight of 189.19 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 594914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).