bicyclo[2.1.0]pent-2-en-5-one

C5H4O — CID 71441751

IUPACbicyclo[2.1.0]pent-2-en-5-one
SMILESO=C1C2C=CC12
InChIInChI=1S/C5H4O/c6-5-3-1-2-4(3)5/h1-4H
InChIKeyLLBKWGOFEXFBSU-UHFFFAOYSA-N
MW80.09 g/mol
LogP0.37
Rot. Bonds

About bicyclo[2.1.0]pent-2-en-5-one

bicyclo[2.1.0]pent-2-en-5-one (PubChem CID 71441751) has the molecular formula C5H4O and a molecular weight of 80.09 g/mol. Its IUPAC name is bicyclo[2.1.0]pent-2-en-5-one.

Molecular Properties

Compound Namebicyclo[2.1.0]pent-2-en-5-one
PubChem CID71441751
Molecular FormulaC5H4O
Molecular Weight80.09 g/mol
Exact Mass80.03
IUPAC Namebicyclo[2.1.0]pent-2-en-5-one
SMILESO=C1C2C=CC12
InChIInChI=1S/C5H4O/c6-5-3-1-2-4(3)5/h1-4H
InChIKeyLLBKWGOFEXFBSU-UHFFFAOYSA-N
XLogP0.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.09
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.1.0]pent-2-en-5-one?
The IUPAC name of bicyclo[2.1.0]pent-2-en-5-one (CID 71441751) is bicyclo[2.1.0]pent-2-en-5-one.
What is the SMILES notation for bicyclo[2.1.0]pent-2-en-5-one?
The canonical SMILES for bicyclo[2.1.0]pent-2-en-5-one is O=C1C2C=CC12.
What is the InChIKey of bicyclo[2.1.0]pent-2-en-5-one?
The InChIKey is LLBKWGOFEXFBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O/c6-5-3-1-2-4(3)5/h1-4H.
What are the key properties of bicyclo[2.1.0]pent-2-en-5-one?
bicyclo[2.1.0]pent-2-en-5-one has a molecular weight of 80.09 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.1.0]pent-2-en-5-one is sourced from PubChem (CID 71441751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).