3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one

C15H14N2O2 — CID 572155

IUPAC3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one
SMILESCC1(O)c2ccccc2C(=O)N1Cc1cccnc1
InChIInChI=1S/C15H14N2O2/c1-15(19)13-7-3-2-6-12(13)14(18)17(15)10-11-5-4-8-16-9-11/h2-9,19H,10H2,1H3
InChIKeyKGHIRJVEVUTFBA-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.90
Rot. Bonds2

About 3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one

3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one (PubChem CID 572155) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one
PubChem CID572155
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one
SMILESCC1(O)c2ccccc2C(=O)N1Cc1cccnc1
InChIInChI=1S/C15H14N2O2/c1-15(19)13-7-3-2-6-12(13)14(18)17(15)10-11-5-4-8-16-9-11/h2-9,19H,10H2,1H3
InChIKeyKGHIRJVEVUTFBA-UHFFFAOYSA-N
XLogP1.90
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one?
The IUPAC name of 3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one (CID 572155) is 3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one.
What is the SMILES notation for 3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one?
The canonical SMILES for 3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one is CC1(O)c2ccccc2C(=O)N1Cc1cccnc1.
What is the InChIKey of 3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one?
The InChIKey is KGHIRJVEVUTFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-15(19)13-7-3-2-6-12(13)14(18)17(15)10-11-5-4-8-16-9-11/h2-9,19H,10H2,1H3.
What are the key properties of 3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one?
3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one has a molecular weight of 254.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one is sourced from PubChem (CID 572155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).