3-ethenylcyclobutan-1-one

C6H8O — CID 22227092

IUPAC3-ethenylcyclobutan-1-one
SMILESC=CC1CC(=O)C1
InChIInChI=1S/C6H8O/c1-2-5-3-6(7)4-5/h2,5H,1,3-4H2
InChIKeyMLVLWEMNALQEEK-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.15
Rot. Bonds1

About 3-ethenylcyclobutan-1-one

3-ethenylcyclobutan-1-one (PubChem CID 22227092) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 3-ethenylcyclobutan-1-one.

Molecular Properties

Compound Name3-ethenylcyclobutan-1-one
PubChem CID22227092
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name3-ethenylcyclobutan-1-one
SMILESC=CC1CC(=O)C1
InChIInChI=1S/C6H8O/c1-2-5-3-6(7)4-5/h2,5H,1,3-4H2
InChIKeyMLVLWEMNALQEEK-UHFFFAOYSA-N
XLogP1.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Hexen-2-one, 3-(2-propenyl)-
CID 11355514
3-Methylhex-5-en-2-one
CID 12422318
2-Vinylcyclobutanone
CID 13066042
2-Allylcyclobutanone
CID 11182586
4-Methyl-5-hexen-3-one
CID 12644182
Ethyl-vinyl-acetone
CID 12956003
3-Ethyl-5-hexen-2-one
CID 58995117
Vinylcyclobutanedione
CID 70139266
5-Hexen-2-one, 5-methyl-3-ethenyl
CID 529432
4-Methylhex-5-en-2-one
CID 13226644
trans-(2R,3R)-2-ethenyl-3-methylcyclobutan-1-one
CID 13925597
(3R)-3-ethylhex-5-en-2-one
CID 93426922

Frequently Asked Questions

What is the IUPAC name of 3-ethenylcyclobutan-1-one?
The IUPAC name of 3-ethenylcyclobutan-1-one (CID 22227092) is 3-ethenylcyclobutan-1-one.
What is the SMILES notation for 3-ethenylcyclobutan-1-one?
The canonical SMILES for 3-ethenylcyclobutan-1-one is C=CC1CC(=O)C1.
What is the InChIKey of 3-ethenylcyclobutan-1-one?
The InChIKey is MLVLWEMNALQEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-2-5-3-6(7)4-5/h2,5H,1,3-4H2.
What are the key properties of 3-ethenylcyclobutan-1-one?
3-ethenylcyclobutan-1-one has a molecular weight of 96.13 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylcyclobutan-1-one is sourced from PubChem (CID 22227092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).