4-fluoro-2-(3-hydroxypropyl)-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one

C15H17FN2O3 — CID 135191091

IUPAC4-fluoro-2-(3-hydroxypropyl)-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one
SMILESO=C1c2cc(N3CCCC3=O)cc(F)c2CN1CCCO
InChIInChI=1S/C15H17FN2O3/c16-13-8-10(18-5-1-3-14(18)20)7-11-12(13)9-17(15(11)21)4-2-6-19/h7-8,19H,1-6,9H2
InChIKeyKYOXSQJTAIKKFA-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.29
Rot. Bonds4

About 4-fluoro-2-(3-hydroxypropyl)-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one

4-fluoro-2-(3-hydroxypropyl)-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one (PubChem CID 135191091) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-fluoro-2-(3-hydroxypropyl)-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name4-fluoro-2-(3-hydroxypropyl)-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one
PubChem CID135191091
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name4-fluoro-2-(3-hydroxypropyl)-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one
SMILESO=C1c2cc(N3CCCC3=O)cc(F)c2CN1CCCO
InChIInChI=1S/C15H17FN2O3/c16-13-8-10(18-5-1-3-14(18)20)7-11-12(13)9-17(15(11)21)4-2-6-19/h7-8,19H,1-6,9H2
InChIKeyKYOXSQJTAIKKFA-UHFFFAOYSA-N
XLogP1.29
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-hydroxypropyl)-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one?
The IUPAC name of 4-fluoro-2-(3-hydroxypropyl)-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one (CID 135191091) is 4-fluoro-2-(3-hydroxypropyl)-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one.
What is the SMILES notation for 4-fluoro-2-(3-hydroxypropyl)-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one?
The canonical SMILES for 4-fluoro-2-(3-hydroxypropyl)-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one is O=C1c2cc(N3CCCC3=O)cc(F)c2CN1CCCO.
What is the InChIKey of 4-fluoro-2-(3-hydroxypropyl)-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one?
The InChIKey is KYOXSQJTAIKKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-13-8-10(18-5-1-3-14(18)20)7-11-12(13)9-17(15(11)21)4-2-6-19/h7-8,19H,1-6,9H2.
What are the key properties of 4-fluoro-2-(3-hydroxypropyl)-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one?
4-fluoro-2-(3-hydroxypropyl)-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one has a molecular weight of 292.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-hydroxypropyl)-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one is sourced from PubChem (CID 135191091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).