5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one

C19H15NO3 — CID 58051460

IUPAC5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one
SMILESCc1cccc(-n2cc(-c3ccc4c(c3)OCO4)ccc2=O)c1
InChIInChI=1S/C19H15NO3/c1-13-3-2-4-16(9-13)20-11-15(6-8-19(20)21)14-5-7-17-18(10-14)23-12-22-17/h2-11H,12H2,1H3
InChIKeyXAGREDMOFKFCHG-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.54
Rot. Bonds2

About 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one

5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one (PubChem CID 58051460) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one
PubChem CID58051460
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one
SMILESCc1cccc(-n2cc(-c3ccc4c(c3)OCO4)ccc2=O)c1
InChIInChI=1S/C19H15NO3/c1-13-3-2-4-16(9-13)20-11-15(6-8-19(20)21)14-5-7-17-18(10-14)23-12-22-17/h2-11H,12H2,1H3
InChIKeyXAGREDMOFKFCHG-UHFFFAOYSA-N
XLogP3.54
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one (CID 58051460) is 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one is Cc1cccc(-n2cc(-c3ccc4c(c3)OCO4)ccc2=O)c1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one?
The InChIKey is XAGREDMOFKFCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-13-3-2-4-16(9-13)20-11-15(6-8-19(20)21)14-5-7-17-18(10-14)23-12-22-17/h2-11H,12H2,1H3.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one?
5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one has a molecular weight of 305.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one is sourced from PubChem (CID 58051460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).