2-methyl-3,4-dihydro-1H-isochromeno[4,3-c]pyridin-6-one

C13H13NO2 — CID 54138351

IUPAC2-methyl-3,4-dihydro-1H-isochromeno[4,3-c]pyridin-6-one
SMILESCN1CCc2oc(=O)c3ccccc3c2C1
InChIInChI=1S/C13H13NO2/c1-14-7-6-12-11(8-14)9-4-2-3-5-10(9)13(15)16-12/h2-5H,6-8H2,1H3
InChIKeyNZHUHVNYEJDEGO-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.78
Rot. Bonds

About 2-methyl-3,4-dihydro-1H-isochromeno[4,3-c]pyridin-6-one

2-methyl-3,4-dihydro-1H-isochromeno[4,3-c]pyridin-6-one (PubChem CID 54138351) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-1H-isochromeno[4,3-c]pyridin-6-one.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-1H-isochromeno[4,3-c]pyridin-6-one
PubChem CID54138351
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-methyl-3,4-dihydro-1H-isochromeno[4,3-c]pyridin-6-one
SMILESCN1CCc2oc(=O)c3ccccc3c2C1
InChIInChI=1S/C13H13NO2/c1-14-7-6-12-11(8-14)9-4-2-3-5-10(9)13(15)16-12/h2-5H,6-8H2,1H3
InChIKeyNZHUHVNYEJDEGO-UHFFFAOYSA-N
XLogP1.78
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-1H-isochromeno[4,3-c]pyridin-6-one?
The IUPAC name of 2-methyl-3,4-dihydro-1H-isochromeno[4,3-c]pyridin-6-one (CID 54138351) is 2-methyl-3,4-dihydro-1H-isochromeno[4,3-c]pyridin-6-one.
What is the SMILES notation for 2-methyl-3,4-dihydro-1H-isochromeno[4,3-c]pyridin-6-one?
The canonical SMILES for 2-methyl-3,4-dihydro-1H-isochromeno[4,3-c]pyridin-6-one is CN1CCc2oc(=O)c3ccccc3c2C1.
What is the InChIKey of 2-methyl-3,4-dihydro-1H-isochromeno[4,3-c]pyridin-6-one?
The InChIKey is NZHUHVNYEJDEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-14-7-6-12-11(8-14)9-4-2-3-5-10(9)13(15)16-12/h2-5H,6-8H2,1H3.
What are the key properties of 2-methyl-3,4-dihydro-1H-isochromeno[4,3-c]pyridin-6-one?
2-methyl-3,4-dihydro-1H-isochromeno[4,3-c]pyridin-6-one has a molecular weight of 215.25 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-1H-isochromeno[4,3-c]pyridin-6-one is sourced from PubChem (CID 54138351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).