2-hydroxy-3-methylcycloprop-2-en-1-one

C4H4O2 — CID 59349696

IUPAC2-hydroxy-3-methylcycloprop-2-en-1-one
SMILESCc1c(O)c1=O
InChIInChI=1S/C4H4O2/c1-2-3(5)4(2)6/h5H,1H3
InChIKeyKFTQZLJGJKTJCE-UHFFFAOYSA-N
MW84.07 g/mol
LogP-0.06
Rot. Bonds

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

2-hydroxy-3-methylcycloprop-2-en-1-one (PubChem CID 59349696) has the molecular formula C4H4O2 and a molecular weight of 84.07 g/mol. Its IUPAC name is 2-hydroxy-3-methylcycloprop-2-en-1-one.

Molecular Properties

Compound Name2-hydroxy-3-methylcycloprop-2-en-1-one
PubChem CID59349696
Molecular FormulaC4H4O2
Molecular Weight84.07 g/mol
Exact Mass84.02
IUPAC Name2-hydroxy-3-methylcycloprop-2-en-1-one
SMILESCc1c(O)c1=O
InChIInChI=1S/C4H4O2/c1-2-3(5)4(2)6/h5H,1H3
InChIKeyKFTQZLJGJKTJCE-UHFFFAOYSA-N
XLogP-0.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.07
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methylcycloprop-2-en-1-one?
The IUPAC name of 2-hydroxy-3-methylcycloprop-2-en-1-one (CID 59349696) is 2-hydroxy-3-methylcycloprop-2-en-1-one.
What is the SMILES notation for 2-hydroxy-3-methylcycloprop-2-en-1-one?
The canonical SMILES for 2-hydroxy-3-methylcycloprop-2-en-1-one is Cc1c(O)c1=O.
What is the InChIKey of 2-hydroxy-3-methylcycloprop-2-en-1-one?
The InChIKey is KFTQZLJGJKTJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O2/c1-2-3(5)4(2)6/h5H,1H3.
What are the key properties of 2-hydroxy-3-methylcycloprop-2-en-1-one?
2-hydroxy-3-methylcycloprop-2-en-1-one has a molecular weight of 84.07 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methylcycloprop-2-en-1-one is sourced from PubChem (CID 59349696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).