4-fluoro-2-[(3-methyloxetan-3-yl)methyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one

C17H19FN2O3 — CID 135191068

IUPAC4-fluoro-2-[(3-methyloxetan-3-yl)methyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one
SMILESCC1(CN2Cc3c(F)cc(N4CCCC4=O)cc3C2=O)COC1
InChIInChI=1S/C17H19FN2O3/c1-17(9-23-10-17)8-19-7-13-12(16(19)22)5-11(6-14(13)18)20-4-2-3-15(20)21/h5-6H,2-4,7-10H2,1H3
InChIKeyAXHOKHHYXQVUIJ-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.94
Rot. Bonds3

About 4-fluoro-2-[(3-methyloxetan-3-yl)methyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one

4-fluoro-2-[(3-methyloxetan-3-yl)methyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one (PubChem CID 135191068) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-fluoro-2-[(3-methyloxetan-3-yl)methyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name4-fluoro-2-[(3-methyloxetan-3-yl)methyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one
PubChem CID135191068
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name4-fluoro-2-[(3-methyloxetan-3-yl)methyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one
SMILESCC1(CN2Cc3c(F)cc(N4CCCC4=O)cc3C2=O)COC1
InChIInChI=1S/C17H19FN2O3/c1-17(9-23-10-17)8-19-7-13-12(16(19)22)5-11(6-14(13)18)20-4-2-3-15(20)21/h5-6H,2-4,7-10H2,1H3
InChIKeyAXHOKHHYXQVUIJ-UHFFFAOYSA-N
XLogP1.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(3-methyloxetan-3-yl)methyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one?
The IUPAC name of 4-fluoro-2-[(3-methyloxetan-3-yl)methyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one (CID 135191068) is 4-fluoro-2-[(3-methyloxetan-3-yl)methyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one.
What is the SMILES notation for 4-fluoro-2-[(3-methyloxetan-3-yl)methyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one?
The canonical SMILES for 4-fluoro-2-[(3-methyloxetan-3-yl)methyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one is CC1(CN2Cc3c(F)cc(N4CCCC4=O)cc3C2=O)COC1.
What is the InChIKey of 4-fluoro-2-[(3-methyloxetan-3-yl)methyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one?
The InChIKey is AXHOKHHYXQVUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-17(9-23-10-17)8-19-7-13-12(16(19)22)5-11(6-14(13)18)20-4-2-3-15(20)21/h5-6H,2-4,7-10H2,1H3.
What are the key properties of 4-fluoro-2-[(3-methyloxetan-3-yl)methyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one?
4-fluoro-2-[(3-methyloxetan-3-yl)methyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one has a molecular weight of 318.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(3-methyloxetan-3-yl)methyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one is sourced from PubChem (CID 135191068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).