6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-1,3-dihydroindol-2-one

C16H15FN2O3 — CID 54006338

IUPAC6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(F)c(-n3c(O)c4c(c3O)CCCC4)cc2N1
InChIInChI=1S/C16H15FN2O3/c17-11-5-8-6-14(20)18-12(8)7-13(11)19-15(21)9-3-1-2-4-10(9)16(19)22/h5,7,21-22H,1-4,6H2,(H,18,20)
InChIKeyKPDHYYRGZAQNDX-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.40
Rot. Bonds1

About 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-1,3-dihydroindol-2-one

6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 54006338) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-1,3-dihydroindol-2-one
PubChem CID54006338
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(F)c(-n3c(O)c4c(c3O)CCCC4)cc2N1
InChIInChI=1S/C16H15FN2O3/c17-11-5-8-6-14(20)18-12(8)7-13(11)19-15(21)9-3-1-2-4-10(9)16(19)22/h5,7,21-22H,1-4,6H2,(H,18,20)
InChIKeyKPDHYYRGZAQNDX-UHFFFAOYSA-N
XLogP2.40
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-1,3-dihydroindol-2-one (CID 54006338) is 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-1,3-dihydroindol-2-one is O=C1Cc2cc(F)c(-n3c(O)c4c(c3O)CCCC4)cc2N1.
What is the InChIKey of 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is KPDHYYRGZAQNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c17-11-5-8-6-14(20)18-12(8)7-13(11)19-15(21)9-3-1-2-4-10(9)16(19)22/h5,7,21-22H,1-4,6H2,(H,18,20).
What are the key properties of 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-1,3-dihydroindol-2-one?
6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 302.31 g/mol, XLogP of 2.40, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 54006338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).