1-(pyren-1-ylmethoxy)pyridin-2-one

C22H15NO2 — CID 15534540

IUPAC1-(pyren-1-ylmethoxy)pyridin-2-one
SMILESO=c1ccccn1OCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C22H15NO2/c24-20-6-1-2-13-23(20)25-14-18-10-9-17-8-7-15-4-3-5-16-11-12-19(18)22(17)21(15)16/h1-13H,14H2
InChIKeyOOJTYZJVSZKNOA-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.37
Rot. Bonds3

About 1-(pyren-1-ylmethoxy)pyridin-2-one

1-(pyren-1-ylmethoxy)pyridin-2-one (PubChem CID 15534540) has the molecular formula C22H15NO2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(pyren-1-ylmethoxy)pyridin-2-one.

Molecular Properties

Compound Name1-(pyren-1-ylmethoxy)pyridin-2-one
PubChem CID15534540
Molecular FormulaC22H15NO2
Molecular Weight325.37 g/mol
Exact Mass325.11
IUPAC Name1-(pyren-1-ylmethoxy)pyridin-2-one
SMILESO=c1ccccn1OCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C22H15NO2/c24-20-6-1-2-13-23(20)25-14-18-10-9-17-8-7-15-4-3-5-16-11-12-19(18)22(17)21(15)16/h1-13H,14H2
InChIKeyOOJTYZJVSZKNOA-UHFFFAOYSA-N
XLogP4.37
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-(pyren-1-ylmethoxy)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(pyren-1-ylmethoxy)pyridin-2-one?
The IUPAC name of 1-(pyren-1-ylmethoxy)pyridin-2-one (CID 15534540) is 1-(pyren-1-ylmethoxy)pyridin-2-one.
What is the SMILES notation for 1-(pyren-1-ylmethoxy)pyridin-2-one?
The canonical SMILES for 1-(pyren-1-ylmethoxy)pyridin-2-one is O=c1ccccn1OCc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of 1-(pyren-1-ylmethoxy)pyridin-2-one?
The InChIKey is OOJTYZJVSZKNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO2/c24-20-6-1-2-13-23(20)25-14-18-10-9-17-8-7-15-4-3-5-16-11-12-19(18)22(17)21(15)16/h1-13H,14H2.
What are the key properties of 1-(pyren-1-ylmethoxy)pyridin-2-one?
1-(pyren-1-ylmethoxy)pyridin-2-one has a molecular weight of 325.37 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyren-1-ylmethoxy)pyridin-2-one is sourced from PubChem (CID 15534540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).