pyrene-1,6-dione

C16H8O2 — CID 15699

IUPACpyrene-1,6-dione
SMILESO=C1C=Cc2ccc3c4c(ccc1c24)C=CC3=O
InChIInChI=1S/C16H8O2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H
InChIKeyYFPSDOXLHBDCOR-UHFFFAOYSA-N
MW232.24 g/mol
LogP3.26
Rot. Bonds

About pyrene-1,6-dione

pyrene-1,6-dione (PubChem CID 15699) has the molecular formula C16H8O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is pyrene-1,6-dione.

Molecular Properties

Compound Namepyrene-1,6-dione
PubChem CID15699
Molecular FormulaC16H8O2
Molecular Weight232.24 g/mol
Exact Mass232.05
IUPAC Namepyrene-1,6-dione
SMILESO=C1C=Cc2ccc3c4c(ccc1c24)C=CC3=O
InChIInChI=1S/C16H8O2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H
InChIKeyYFPSDOXLHBDCOR-UHFFFAOYSA-N
XLogP3.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze pyrene-1,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

1,4-Naphthoquinone
CID 8530
Benzophenone
CID 3102
Menadione
CID 4055
Anthraquinone
CID 6780
Menatetrenone
CID 5282367
1,2-Naphthoquinone
CID 10667
9,10-Phenanthrenedione
CID 6763
Dibenzoylmethane
CID 8433
Anthrone
CID 7018
Tonalide
CID 89440
Benzanthrone
CID 6697
1-Naphthaldehyde
CID 6195

Frequently Asked Questions

What is the IUPAC name of pyrene-1,6-dione?
The IUPAC name of pyrene-1,6-dione (CID 15699) is pyrene-1,6-dione.
What is the SMILES notation for pyrene-1,6-dione?
The canonical SMILES for pyrene-1,6-dione is O=C1C=Cc2ccc3c4c(ccc1c24)C=CC3=O.
What is the InChIKey of pyrene-1,6-dione?
The InChIKey is YFPSDOXLHBDCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8O2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H.
What are the key properties of pyrene-1,6-dione?
pyrene-1,6-dione has a molecular weight of 232.24 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrene-1,6-dione is sourced from PubChem (CID 15699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).