6-naphthalen-1-ylpyran-2-one

C15H10O2 — CID 746192

IUPAC6-naphthalen-1-ylpyran-2-one
SMILESO=c1cccc(-c2cccc3ccccc23)o1
InChIInChI=1S/C15H10O2/c16-15-10-4-9-14(17-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H
InChIKeyXLWSCVJZCYTXIP-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.46
Rot. Bonds1

About 6-naphthalen-1-ylpyran-2-one

6-naphthalen-1-ylpyran-2-one (PubChem CID 746192) has the molecular formula C15H10O2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-naphthalen-1-ylpyran-2-one.

Molecular Properties

Compound Name6-naphthalen-1-ylpyran-2-one
PubChem CID746192
Molecular FormulaC15H10O2
Molecular Weight222.24 g/mol
Exact Mass222.07
IUPAC Name6-naphthalen-1-ylpyran-2-one
SMILESO=c1cccc(-c2cccc3ccccc23)o1
InChIInChI=1S/C15H10O2/c16-15-10-4-9-14(17-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H
InChIKeyXLWSCVJZCYTXIP-UHFFFAOYSA-N
XLogP3.46
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-naphthalen-1-ylpyran-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 6-naphthalen-1-ylpyran-2-one?
The IUPAC name of 6-naphthalen-1-ylpyran-2-one (CID 746192) is 6-naphthalen-1-ylpyran-2-one.
What is the SMILES notation for 6-naphthalen-1-ylpyran-2-one?
The canonical SMILES for 6-naphthalen-1-ylpyran-2-one is O=c1cccc(-c2cccc3ccccc23)o1.
What is the InChIKey of 6-naphthalen-1-ylpyran-2-one?
The InChIKey is XLWSCVJZCYTXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2/c16-15-10-4-9-14(17-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H.
What are the key properties of 6-naphthalen-1-ylpyran-2-one?
6-naphthalen-1-ylpyran-2-one has a molecular weight of 222.24 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-ylpyran-2-one is sourced from PubChem (CID 746192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).