3-(hydroxymethyl)cyclobutan-1-one

C5H8O2 — CID 45480375

IUPAC3-(hydroxymethyl)cyclobutan-1-one
SMILESO=C1CC(CO)C1
InChIInChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2
InChIKeyNPBDXRSQLIOUGJ-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.04
Rot. Bonds1

About 3-(hydroxymethyl)cyclobutan-1-one

3-(hydroxymethyl)cyclobutan-1-one (PubChem CID 45480375) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 3-(hydroxymethyl)cyclobutan-1-one.

Molecular Properties

Compound Name3-(hydroxymethyl)cyclobutan-1-one
PubChem CID45480375
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name3-(hydroxymethyl)cyclobutan-1-one
SMILESO=C1CC(CO)C1
InChIInChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2
InChIKeyNPBDXRSQLIOUGJ-UHFFFAOYSA-N
XLogP-0.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)cyclobutan-1-one?
The IUPAC name of 3-(hydroxymethyl)cyclobutan-1-one (CID 45480375) is 3-(hydroxymethyl)cyclobutan-1-one.
What is the SMILES notation for 3-(hydroxymethyl)cyclobutan-1-one?
The canonical SMILES for 3-(hydroxymethyl)cyclobutan-1-one is O=C1CC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)cyclobutan-1-one?
The InChIKey is NPBDXRSQLIOUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2.
What are the key properties of 3-(hydroxymethyl)cyclobutan-1-one?
3-(hydroxymethyl)cyclobutan-1-one has a molecular weight of 100.12 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)cyclobutan-1-one is sourced from PubChem (CID 45480375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).