3-prop-1-en-2-ylcyclobutan-1-one

C7H10O — CID 12682199

IUPAC3-prop-1-en-2-ylcyclobutan-1-one
SMILESC=C(C)C1CC(=O)C1
InChIInChI=1S/C7H10O/c1-5(2)6-3-7(8)4-6/h6H,1,3-4H2,2H3
InChIKeyWJTXEXOZRHIHQL-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.54
Rot. Bonds1

About 3-prop-1-en-2-ylcyclobutan-1-one

3-prop-1-en-2-ylcyclobutan-1-one (PubChem CID 12682199) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-prop-1-en-2-ylcyclobutan-1-one.

Molecular Properties

Compound Name3-prop-1-en-2-ylcyclobutan-1-one
PubChem CID12682199
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name3-prop-1-en-2-ylcyclobutan-1-one
SMILESC=C(C)C1CC(=O)C1
InChIInChI=1S/C7H10O/c1-5(2)6-3-7(8)4-6/h6H,1,3-4H2,2H3
InChIKeyWJTXEXOZRHIHQL-UHFFFAOYSA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.54
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 3-prop-1-en-2-ylcyclobutan-1-one?
The IUPAC name of 3-prop-1-en-2-ylcyclobutan-1-one (CID 12682199) is 3-prop-1-en-2-ylcyclobutan-1-one.
What is the SMILES notation for 3-prop-1-en-2-ylcyclobutan-1-one?
The canonical SMILES for 3-prop-1-en-2-ylcyclobutan-1-one is C=C(C)C1CC(=O)C1.
What is the InChIKey of 3-prop-1-en-2-ylcyclobutan-1-one?
The InChIKey is WJTXEXOZRHIHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-5(2)6-3-7(8)4-6/h6H,1,3-4H2,2H3.
What are the key properties of 3-prop-1-en-2-ylcyclobutan-1-one?
3-prop-1-en-2-ylcyclobutan-1-one has a molecular weight of 110.16 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-ylcyclobutan-1-one is sourced from PubChem (CID 12682199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).