5,6-dihydro-4H-pentalen-2-one

C8H8O — CID 12679298

IUPAC5,6-dihydro-4H-pentalen-2-one
SMILESO=C1C=C2CCCC2=C1
InChIInChI=1S/C8H8O/c9-8-4-6-2-1-3-7(6)5-8/h4-5H,1-3H2
InChIKeyZXWZPLQQPSDSES-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.61
Rot. Bonds

About 5,6-dihydro-4H-pentalen-2-one

5,6-dihydro-4H-pentalen-2-one (PubChem CID 12679298) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is 5,6-dihydro-4H-pentalen-2-one.

Molecular Properties

Compound Name5,6-dihydro-4H-pentalen-2-one
PubChem CID12679298
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name5,6-dihydro-4H-pentalen-2-one
SMILESO=C1C=C2CCCC2=C1
InChIInChI=1S/C8H8O/c9-8-4-6-2-1-3-7(6)5-8/h4-5H,1-3H2
InChIKeyZXWZPLQQPSDSES-UHFFFAOYSA-N
XLogP1.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-pentalen-2-one?
The IUPAC name of 5,6-dihydro-4H-pentalen-2-one (CID 12679298) is 5,6-dihydro-4H-pentalen-2-one.
What is the SMILES notation for 5,6-dihydro-4H-pentalen-2-one?
The canonical SMILES for 5,6-dihydro-4H-pentalen-2-one is O=C1C=C2CCCC2=C1.
What is the InChIKey of 5,6-dihydro-4H-pentalen-2-one?
The InChIKey is ZXWZPLQQPSDSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c9-8-4-6-2-1-3-7(6)5-8/h4-5H,1-3H2.
What are the key properties of 5,6-dihydro-4H-pentalen-2-one?
5,6-dihydro-4H-pentalen-2-one has a molecular weight of 120.15 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-pentalen-2-one is sourced from PubChem (CID 12679298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).