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

C16H16N2O3 — CID 54137017

IUPAC6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(-n3c(O)c4c(c3O)CCCC4)cc2N1
InChIInChI=1S/C16H16N2O3/c19-14-7-9-5-6-10(8-13(9)17-14)18-15(20)11-3-1-2-4-12(11)16(18)21/h5-6,8,20-21H,1-4,7H2,(H,17,19)
InChIKeyNYKYMMYLGXNHHF-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.26
Rot. Bonds1

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

6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-1,3-dihydroindol-2-one (PubChem CID 54137017) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-1,3-dihydroindol-2-one
PubChem CID54137017
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(-n3c(O)c4c(c3O)CCCC4)cc2N1
InChIInChI=1S/C16H16N2O3/c19-14-7-9-5-6-10(8-13(9)17-14)18-15(20)11-3-1-2-4-12(11)16(18)21/h5-6,8,20-21H,1-4,7H2,(H,17,19)
InChIKeyNYKYMMYLGXNHHF-UHFFFAOYSA-N
XLogP2.26
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.26
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)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-1,3-dihydroindol-2-one (CID 54137017) is 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-1,3-dihydroindol-2-one is O=C1Cc2ccc(-n3c(O)c4c(c3O)CCCC4)cc2N1.
What is the InChIKey of 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-1,3-dihydroindol-2-one?
The InChIKey is NYKYMMYLGXNHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-14-7-9-5-6-10(8-13(9)17-14)18-15(20)11-3-1-2-4-12(11)16(18)21/h5-6,8,20-21H,1-4,7H2,(H,17,19).
What are the key properties of 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-1,3-dihydroindol-2-one?
6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 284.31 g/mol, XLogP of 2.26, 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)-1,3-dihydroindol-2-one is sourced from PubChem (CID 54137017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).