3-(6-fluoro-7-methyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione

C14H15FN2O3 — CID 166683056

IUPAC3-(6-fluoro-7-methyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC1=C(F)C=CC2C(=O)N(C3CCC(=O)NC3=O)CC12
InChIInChI=1S/C14H15FN2O3/c1-7-9-6-17(11-4-5-12(18)16-13(11)19)14(20)8(9)2-3-10(7)15/h2-3,8-9,11H,4-6H2,1H3,(H,16,18,19)
InChIKeyRWGHKMYVAINYJO-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.68
Rot. Bonds1

About 3-(6-fluoro-7-methyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione

3-(6-fluoro-7-methyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 166683056) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-(6-fluoro-7-methyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-fluoro-7-methyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID166683056
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name3-(6-fluoro-7-methyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC1=C(F)C=CC2C(=O)N(C3CCC(=O)NC3=O)CC12
InChIInChI=1S/C14H15FN2O3/c1-7-9-6-17(11-4-5-12(18)16-13(11)19)14(20)8(9)2-3-10(7)15/h2-3,8-9,11H,4-6H2,1H3,(H,16,18,19)
InChIKeyRWGHKMYVAINYJO-UHFFFAOYSA-N
XLogP0.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
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-(6-fluoro-7-methyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-fluoro-7-methyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione (CID 166683056) is 3-(6-fluoro-7-methyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-fluoro-7-methyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-fluoro-7-methyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione is CC1=C(F)C=CC2C(=O)N(C3CCC(=O)NC3=O)CC12.
What is the InChIKey of 3-(6-fluoro-7-methyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is RWGHKMYVAINYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-7-9-6-17(11-4-5-12(18)16-13(11)19)14(20)8(9)2-3-10(7)15/h2-3,8-9,11H,4-6H2,1H3,(H,16,18,19).
What are the key properties of 3-(6-fluoro-7-methyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(6-fluoro-7-methyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 278.28 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-7-methyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 166683056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).