2-hydroxy-3-methylcyclobut-2-en-1-one

C5H6O2 — CID 58489247

IUPAC2-hydroxy-3-methylcyclobut-2-en-1-one
SMILESCC1=C(O)C(=O)C1
InChIInChI=1S/C5H6O2/c1-3-2-4(6)5(3)7/h7H,2H2,1H3
InChIKeyHUGFTIGZGFGYAB-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.79
Rot. Bonds

About 2-hydroxy-3-methylcyclobut-2-en-1-one

2-hydroxy-3-methylcyclobut-2-en-1-one (PubChem CID 58489247) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol. Its IUPAC name is 2-hydroxy-3-methylcyclobut-2-en-1-one.

Molecular Properties

Compound Name2-hydroxy-3-methylcyclobut-2-en-1-one
PubChem CID58489247
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name2-hydroxy-3-methylcyclobut-2-en-1-one
SMILESCC1=C(O)C(=O)C1
InChIInChI=1S/C5H6O2/c1-3-2-4(6)5(3)7/h7H,2H2,1H3
InChIKeyHUGFTIGZGFGYAB-UHFFFAOYSA-N
XLogP0.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methylcyclobut-2-en-1-one?
The IUPAC name of 2-hydroxy-3-methylcyclobut-2-en-1-one (CID 58489247) is 2-hydroxy-3-methylcyclobut-2-en-1-one.
What is the SMILES notation for 2-hydroxy-3-methylcyclobut-2-en-1-one?
The canonical SMILES for 2-hydroxy-3-methylcyclobut-2-en-1-one is CC1=C(O)C(=O)C1.
What is the InChIKey of 2-hydroxy-3-methylcyclobut-2-en-1-one?
The InChIKey is HUGFTIGZGFGYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2/c1-3-2-4(6)5(3)7/h7H,2H2,1H3.
What are the key properties of 2-hydroxy-3-methylcyclobut-2-en-1-one?
2-hydroxy-3-methylcyclobut-2-en-1-one has a molecular weight of 98.10 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methylcyclobut-2-en-1-one is sourced from PubChem (CID 58489247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).