3-Cyclobutylcyclobutan-1-one

C8H12O — CID 84078325

IUPAC3-cyclobutylcyclobutan-1-one
SMILESC1CC(C1)C2CC(=O)C2
InChIInChI=1S/C8H12O/c9-8-4-7(5-8)6-2-1-3-6/h6-7H,1-5H2
InChIKeyXCJPRYYUTHKRDV-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.60
Rot. Bonds1

About 3-Cyclobutylcyclobutan-1-one

3-Cyclobutylcyclobutan-1-one (PubChem CID 84078325) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3-cyclobutylcyclobutan-1-one.

Molecular Properties

Compound Name3-Cyclobutylcyclobutan-1-one
PubChem CID84078325
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3-cyclobutylcyclobutan-1-one
SMILESC1CC(C1)C2CC(=O)C2
InChIInChI=1S/C8H12O/c9-8-4-7(5-8)6-2-1-3-6/h6-7H,1-5H2
InChIKeyXCJPRYYUTHKRDV-UHFFFAOYSA-N
XLogP1.60
TPSA17.10 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity128

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-Cyclobutylcyclobutan-1-one?
The IUPAC name of 3-Cyclobutylcyclobutan-1-one (CID 84078325) is 3-cyclobutylcyclobutan-1-one.
What is the SMILES notation for 3-Cyclobutylcyclobutan-1-one?
The canonical SMILES for 3-Cyclobutylcyclobutan-1-one is C1CC(C1)C2CC(=O)C2.
What is the InChIKey of 3-Cyclobutylcyclobutan-1-one?
The InChIKey is XCJPRYYUTHKRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c9-8-4-7(5-8)6-2-1-3-6/h6-7H,1-5H2.
What are the key properties of 3-Cyclobutylcyclobutan-1-one?
3-Cyclobutylcyclobutan-1-one has a molecular weight of 124.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Cyclobutylcyclobutan-1-one is sourced from PubChem (CID 84078325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).