3-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydroisoindol-1-one

C15H14N2O2 — CID 176906651

IUPAC3-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydroisoindol-1-one
SMILESCn1cccc(CC2NC(=O)c3ccccc32)c1=O
InChIInChI=1S/C15H14N2O2/c1-17-8-4-5-10(15(17)19)9-13-11-6-2-3-7-12(11)14(18)16-13/h2-8,13H,9H2,1H3,(H,16,18)
InChIKeyMYDOUQIURZRZCJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.41
Rot. Bonds2

About 3-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydroisoindol-1-one

3-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydroisoindol-1-one (PubChem CID 176906651) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydroisoindol-1-one
PubChem CID176906651
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydroisoindol-1-one
SMILESCn1cccc(CC2NC(=O)c3ccccc32)c1=O
InChIInChI=1S/C15H14N2O2/c1-17-8-4-5-10(15(17)19)9-13-11-6-2-3-7-12(11)14(18)16-13/h2-8,13H,9H2,1H3,(H,16,18)
InChIKeyMYDOUQIURZRZCJ-UHFFFAOYSA-N
XLogP1.41
TPSA51.10 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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 3-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydroisoindol-1-one (CID 176906651) is 3-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydroisoindol-1-one is Cn1cccc(CC2NC(=O)c3ccccc32)c1=O.
What is the InChIKey of 3-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydroisoindol-1-one?
The InChIKey is MYDOUQIURZRZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-17-8-4-5-10(15(17)19)9-13-11-6-2-3-7-12(11)14(18)16-13/h2-8,13H,9H2,1H3,(H,16,18).
What are the key properties of 3-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydroisoindol-1-one?
3-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydroisoindol-1-one has a molecular weight of 254.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 176906651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).