(4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one

C8H10O2 — CID 58012719

IUPAC(4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one
SMILESC=CC[C@@H]1C(=O)C=C[C@H]1O
InChIInChI=1S/C8H10O2/c1-2-3-6-7(9)4-5-8(6)10/h2,4-7,9H,1,3H2/t6-,7+/m0/s1
InChIKeyONQGUUWSGZTDPO-NKWVEPMBSA-N
MW138.17 g/mol
LogP0.68
Rot. Bonds2

About (4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one

(4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one (PubChem CID 58012719) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one
PubChem CID58012719
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one
SMILESC=CC[C@@H]1C(=O)C=C[C@H]1O
InChIInChI=1S/C8H10O2/c1-2-3-6-7(9)4-5-8(6)10/h2,4-7,9H,1,3H2/t6-,7+/m0/s1
InChIKeyONQGUUWSGZTDPO-NKWVEPMBSA-N
XLogP0.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.68
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,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one?
The IUPAC name of (4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one (CID 58012719) is (4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one.
What is the SMILES notation for (4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one?
The canonical SMILES for (4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one is C=CC[C@@H]1C(=O)C=C[C@H]1O.
What is the InChIKey of (4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one?
The InChIKey is ONQGUUWSGZTDPO-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-3-6-7(9)4-5-8(6)10/h2,4-7,9H,1,3H2/t6-,7+/m0/s1.
What are the key properties of (4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one?
(4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one has a molecular weight of 138.17 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one is sourced from PubChem (CID 58012719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).