3-ethyl-4,5-dihydroxy-2-methylcyclopent-2-en-1-one

C8H12O3 — CID 72741015

IUPAC3-ethyl-4,5-dihydroxy-2-methylcyclopent-2-en-1-one
SMILESCCC1=C(C)C(=O)C(O)C1O
InChIInChI=1S/C8H12O3/c1-3-5-4(2)6(9)8(11)7(5)10/h7-8,10-11H,3H2,1-2H3
InChIKeyVNTNLYJGTQCPPT-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.02
Rot. Bonds1

About 3-ethyl-4,5-dihydroxy-2-methylcyclopent-2-en-1-one

3-ethyl-4,5-dihydroxy-2-methylcyclopent-2-en-1-one (PubChem CID 72741015) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-ethyl-4,5-dihydroxy-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-ethyl-4,5-dihydroxy-2-methylcyclopent-2-en-1-one
PubChem CID72741015
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name3-ethyl-4,5-dihydroxy-2-methylcyclopent-2-en-1-one
SMILESCCC1=C(C)C(=O)C(O)C1O
InChIInChI=1S/C8H12O3/c1-3-5-4(2)6(9)8(11)7(5)10/h7-8,10-11H,3H2,1-2H3
InChIKeyVNTNLYJGTQCPPT-UHFFFAOYSA-N
XLogP0.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-dihydroxy-2-methylcyclopent-2-en-1-one?
The IUPAC name of 3-ethyl-4,5-dihydroxy-2-methylcyclopent-2-en-1-one (CID 72741015) is 3-ethyl-4,5-dihydroxy-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-ethyl-4,5-dihydroxy-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-ethyl-4,5-dihydroxy-2-methylcyclopent-2-en-1-one is CCC1=C(C)C(=O)C(O)C1O.
What is the InChIKey of 3-ethyl-4,5-dihydroxy-2-methylcyclopent-2-en-1-one?
The InChIKey is VNTNLYJGTQCPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-5-4(2)6(9)8(11)7(5)10/h7-8,10-11H,3H2,1-2H3.
What are the key properties of 3-ethyl-4,5-dihydroxy-2-methylcyclopent-2-en-1-one?
3-ethyl-4,5-dihydroxy-2-methylcyclopent-2-en-1-one has a molecular weight of 156.18 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dihydroxy-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 72741015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).