1-(5-fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione

C14H22FNO3 — CID 139406489

IUPAC1-(5-fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione
SMILESCC(=O)C(C)(F)C(C)CCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C14H22FNO3/c1-9-8-12(18)16(13(9)19)7-5-6-10(2)14(4,15)11(3)17/h9-10H,5-8H2,1-4H3
InChIKeyHOIROBNAIWYYSY-UHFFFAOYSA-N
MW271.33 g/mol
LogP2.11
Rot. Bonds6

About 1-(5-fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione

1-(5-fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 139406489) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-(5-fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione
PubChem CID139406489
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name1-(5-fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione
SMILESCC(=O)C(C)(F)C(C)CCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C14H22FNO3/c1-9-8-12(18)16(13(9)19)7-5-6-10(2)14(4,15)11(3)17/h9-10H,5-8H2,1-4H3
InChIKeyHOIROBNAIWYYSY-UHFFFAOYSA-N
XLogP2.11
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 52.11
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 1-(5-fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(5-fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione (CID 139406489) is 1-(5-fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione is CC(=O)C(C)(F)C(C)CCCN1C(=O)CC(C)C1=O.
What is the InChIKey of 1-(5-fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is HOIROBNAIWYYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-9-8-12(18)16(13(9)19)7-5-6-10(2)14(4,15)11(3)17/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(5-fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione?
1-(5-fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 271.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 139406489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).