cyclopenta[a]pentalen-7-one

C11H6O — CID 141309735

IUPACcyclopenta[a]pentalen-7-one
SMILESO=c1c2cccc-2c2cccc1-2
InChIInChI=1S/C11H6O/c12-11-9-5-1-3-7(9)8-4-2-6-10(8)11/h1-6H
InChIKeyFXOCFQBSBNESBT-UHFFFAOYSA-N
MW154.17 g/mol
LogP2.13
Rot. Bonds

About cyclopenta[a]pentalen-7-one

cyclopenta[a]pentalen-7-one (PubChem CID 141309735) has the molecular formula C11H6O and a molecular weight of 154.17 g/mol. Its IUPAC name is cyclopenta[a]pentalen-7-one.

Molecular Properties

Compound Namecyclopenta[a]pentalen-7-one
PubChem CID141309735
Molecular FormulaC11H6O
Molecular Weight154.17 g/mol
Exact Mass154.04
IUPAC Namecyclopenta[a]pentalen-7-one
SMILESO=c1c2cccc-2c2cccc1-2
InChIInChI=1S/C11H6O/c12-11-9-5-1-3-7(9)8-4-2-6-10(8)11/h1-6H
InChIKeyFXOCFQBSBNESBT-UHFFFAOYSA-N
XLogP2.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

phenanthrene-9,10-dione
CID 6763
CID 118898551
CID 118898551
biphenylene;hydron
CID 173077542
sodium;fluoren-9-one;hydride
CID 174594472
CID 149049620
CID 149049620
CID 66807709
CID 66807709
CID 67824005
CID 67824005
anthracene-9,10-dione;hydrofluoride
CID 172728823
lithium;anthracene-9,10-dione;hydride
CID 174683199
ethane;bis(fluoren-9-one);methanol
CID 162250310
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120

Frequently Asked Questions

What is the IUPAC name of cyclopenta[a]pentalen-7-one?
The IUPAC name of cyclopenta[a]pentalen-7-one (CID 141309735) is cyclopenta[a]pentalen-7-one.
What is the SMILES notation for cyclopenta[a]pentalen-7-one?
The canonical SMILES for cyclopenta[a]pentalen-7-one is O=c1c2cccc-2c2cccc1-2.
What is the InChIKey of cyclopenta[a]pentalen-7-one?
The InChIKey is FXOCFQBSBNESBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6O/c12-11-9-5-1-3-7(9)8-4-2-6-10(8)11/h1-6H.
What are the key properties of cyclopenta[a]pentalen-7-one?
cyclopenta[a]pentalen-7-one has a molecular weight of 154.17 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[a]pentalen-7-one is sourced from PubChem (CID 141309735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).