3-ethenyl-2-hydroxycyclobutan-1-one

C6H8O2 — CID 58489243

IUPAC3-ethenyl-2-hydroxycyclobutan-1-one
SMILESC=CC1CC(=O)C1O
InChIInChI=1S/C6H8O2/c1-2-4-3-5(7)6(4)8/h2,4,6,8H,1,3H2
InChIKeyQJDWMLURMXEEJC-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.12
Rot. Bonds1

About 3-ethenyl-2-hydroxycyclobutan-1-one

3-ethenyl-2-hydroxycyclobutan-1-one (PubChem CID 58489243) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 3-ethenyl-2-hydroxycyclobutan-1-one.

Molecular Properties

Compound Name3-ethenyl-2-hydroxycyclobutan-1-one
PubChem CID58489243
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name3-ethenyl-2-hydroxycyclobutan-1-one
SMILESC=CC1CC(=O)C1O
InChIInChI=1S/C6H8O2/c1-2-4-3-5(7)6(4)8/h2,4,6,8H,1,3H2
InChIKeyQJDWMLURMXEEJC-UHFFFAOYSA-N
XLogP0.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-ethenyl-2-hydroxycyclobutan-1-one?
The IUPAC name of 3-ethenyl-2-hydroxycyclobutan-1-one (CID 58489243) is 3-ethenyl-2-hydroxycyclobutan-1-one.
What is the SMILES notation for 3-ethenyl-2-hydroxycyclobutan-1-one?
The canonical SMILES for 3-ethenyl-2-hydroxycyclobutan-1-one is C=CC1CC(=O)C1O.
What is the InChIKey of 3-ethenyl-2-hydroxycyclobutan-1-one?
The InChIKey is QJDWMLURMXEEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-4-3-5(7)6(4)8/h2,4,6,8H,1,3H2.
What are the key properties of 3-ethenyl-2-hydroxycyclobutan-1-one?
3-ethenyl-2-hydroxycyclobutan-1-one has a molecular weight of 112.13 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-hydroxycyclobutan-1-one is sourced from PubChem (CID 58489243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).