3-methylcyclobutan-1-one

C5H8O — CID 12599352

IUPAC3-methylcyclobutan-1-one
SMILESCC1CC(=O)C1
InChIInChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3
InChIKeyJOAKNMHVZBHWFI-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.99
Rot. Bonds

About 3-methylcyclobutan-1-one

3-methylcyclobutan-1-one (PubChem CID 12599352) has the molecular formula C5H8O and a molecular weight of 84.12 g/mol. Its IUPAC name is 3-methylcyclobutan-1-one.

Molecular Properties

Compound Name3-methylcyclobutan-1-one
PubChem CID12599352
Molecular FormulaC5H8O
Molecular Weight84.12 g/mol
Exact Mass84.06
IUPAC Name3-methylcyclobutan-1-one
SMILESCC1CC(=O)C1
InChIInChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3
InChIKeyJOAKNMHVZBHWFI-UHFFFAOYSA-N
XLogP0.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylcyclobutan-1-one?
The IUPAC name of 3-methylcyclobutan-1-one (CID 12599352) is 3-methylcyclobutan-1-one.
What is the SMILES notation for 3-methylcyclobutan-1-one?
The canonical SMILES for 3-methylcyclobutan-1-one is CC1CC(=O)C1.
What is the InChIKey of 3-methylcyclobutan-1-one?
The InChIKey is JOAKNMHVZBHWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3.
What are the key properties of 3-methylcyclobutan-1-one?
3-methylcyclobutan-1-one has a molecular weight of 84.12 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclobutan-1-one is sourced from PubChem (CID 12599352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).