4-(5-methyl-3-pyridinyl)-2,3-dihydroisoindol-1-one

C14H12N2O — CID 175996410

IUPAC4-(5-methyl-3-pyridinyl)-2,3-dihydroisoindol-1-one
SMILESCc1cncc(-c2cccc3c2CNC3=O)c1
InChIInChI=1S/C14H12N2O/c1-9-5-10(7-15-6-9)11-3-2-4-12-13(11)8-16-14(12)17/h2-7H,8H2,1H3,(H,16,17)
InChIKeyGJIVKSGHDRNZLS-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.30
Rot. Bonds1

About 4-(5-methyl-3-pyridinyl)-2,3-dihydroisoindol-1-one

4-(5-methyl-3-pyridinyl)-2,3-dihydroisoindol-1-one (PubChem CID 175996410) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(5-methyl-3-pyridinyl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-(5-methyl-3-pyridinyl)-2,3-dihydroisoindol-1-one
PubChem CID175996410
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name4-(5-methyl-3-pyridinyl)-2,3-dihydroisoindol-1-one
SMILESCc1cncc(-c2cccc3c2CNC3=O)c1
InChIInChI=1S/C14H12N2O/c1-9-5-10(7-15-6-9)11-3-2-4-12-13(11)8-16-14(12)17/h2-7H,8H2,1H3,(H,16,17)
InChIKeyGJIVKSGHDRNZLS-UHFFFAOYSA-N
XLogP2.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3-pyridinyl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-(5-methyl-3-pyridinyl)-2,3-dihydroisoindol-1-one (CID 175996410) is 4-(5-methyl-3-pyridinyl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-(5-methyl-3-pyridinyl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-(5-methyl-3-pyridinyl)-2,3-dihydroisoindol-1-one is Cc1cncc(-c2cccc3c2CNC3=O)c1.
What is the InChIKey of 4-(5-methyl-3-pyridinyl)-2,3-dihydroisoindol-1-one?
The InChIKey is GJIVKSGHDRNZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-9-5-10(7-15-6-9)11-3-2-4-12-13(11)8-16-14(12)17/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 4-(5-methyl-3-pyridinyl)-2,3-dihydroisoindol-1-one?
4-(5-methyl-3-pyridinyl)-2,3-dihydroisoindol-1-one has a molecular weight of 224.26 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3-pyridinyl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 175996410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).