2,5-dihydropyrene-1,4-dione

C16H10O2 — CID 139489541

IUPAC2,5-dihydropyrene-1,4-dione
SMILESO=C1Cc2cccc3ccc4c(c23)C1=CCC4=O
InChIInChI=1S/C16H10O2/c17-13-7-6-12-14(18)8-10-3-1-2-9-4-5-11(13)16(12)15(9)10/h1-6H,7-8H2
InChIKeyIBRMVWCIQCFXTM-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.93
Rot. Bonds

About 2,5-dihydropyrene-1,4-dione

2,5-dihydropyrene-1,4-dione (PubChem CID 139489541) has the molecular formula C16H10O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2,5-dihydropyrene-1,4-dione.

Molecular Properties

Compound Name2,5-dihydropyrene-1,4-dione
PubChem CID139489541
Molecular FormulaC16H10O2
Molecular Weight234.25 g/mol
Exact Mass234.07
IUPAC Name2,5-dihydropyrene-1,4-dione
SMILESO=C1Cc2cccc3ccc4c(c23)C1=CCC4=O
InChIInChI=1S/C16H10O2/c17-13-7-6-12-14(18)8-10-3-1-2-9-4-5-11(13)16(12)15(9)10/h1-6H,7-8H2
InChIKeyIBRMVWCIQCFXTM-UHFFFAOYSA-N
XLogP2.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one
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9-bromo-1,2-dihydrocyclopenta[a]naphthalen-3-one
CID 157023468
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
2,4-dimethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene
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3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
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1,2-dihydroacenaphthylene
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hexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene
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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyrene-1,4-dione?
The IUPAC name of 2,5-dihydropyrene-1,4-dione (CID 139489541) is 2,5-dihydropyrene-1,4-dione.
What is the SMILES notation for 2,5-dihydropyrene-1,4-dione?
The canonical SMILES for 2,5-dihydropyrene-1,4-dione is O=C1Cc2cccc3ccc4c(c23)C1=CCC4=O.
What is the InChIKey of 2,5-dihydropyrene-1,4-dione?
The InChIKey is IBRMVWCIQCFXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O2/c17-13-7-6-12-14(18)8-10-3-1-2-9-4-5-11(13)16(12)15(9)10/h1-6H,7-8H2.
What are the key properties of 2,5-dihydropyrene-1,4-dione?
2,5-dihydropyrene-1,4-dione has a molecular weight of 234.25 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyrene-1,4-dione is sourced from PubChem (CID 139489541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).