(4R)-4-ethenyl-4-hydroxycyclopent-2-en-1-one

C7H8O2 — CID 10772973

IUPAC(4R)-4-ethenyl-4-hydroxycyclopent-2-en-1-one
SMILESC=C[C@@]1(O)C=CC(=O)C1
InChIInChI=1S/C7H8O2/c1-2-7(9)4-3-6(8)5-7/h2-4,9H,1,5H2/t7-/m1/s1
InChIKeyLAIIYRQVJVODPJ-SSDOTTSWSA-N
MW124.14 g/mol
LogP0.43
Rot. Bonds1

About (4R)-4-ethenyl-4-hydroxycyclopent-2-en-1-one

(4R)-4-ethenyl-4-hydroxycyclopent-2-en-1-one (PubChem CID 10772973) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is (4R)-4-ethenyl-4-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-ethenyl-4-hydroxycyclopent-2-en-1-one
PubChem CID10772973
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name(4R)-4-ethenyl-4-hydroxycyclopent-2-en-1-one
SMILESC=C[C@@]1(O)C=CC(=O)C1
InChIInChI=1S/C7H8O2/c1-2-7(9)4-3-6(8)5-7/h2-4,9H,1,5H2/t7-/m1/s1
InChIKeyLAIIYRQVJVODPJ-SSDOTTSWSA-N
XLogP0.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethenyl-4-hydroxycyclopent-2-en-1-one?
The IUPAC name of (4R)-4-ethenyl-4-hydroxycyclopent-2-en-1-one (CID 10772973) is (4R)-4-ethenyl-4-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-ethenyl-4-hydroxycyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-ethenyl-4-hydroxycyclopent-2-en-1-one is C=C[C@@]1(O)C=CC(=O)C1.
What is the InChIKey of (4R)-4-ethenyl-4-hydroxycyclopent-2-en-1-one?
The InChIKey is LAIIYRQVJVODPJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H8O2/c1-2-7(9)4-3-6(8)5-7/h2-4,9H,1,5H2/t7-/m1/s1.
What are the key properties of (4R)-4-ethenyl-4-hydroxycyclopent-2-en-1-one?
(4R)-4-ethenyl-4-hydroxycyclopent-2-en-1-one has a molecular weight of 124.14 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethenyl-4-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 10772973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).