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

C8H10O2 — CID 13037858

IUPAC(4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=C[C@@H](O)CC1=O
InChIInChI=1S/C8H10O2/c1-2-3-6-4-7(9)5-8(6)10/h2,4,7,9H,1,3,5H2/t7-/m1/s1
InChIKeyZSYLSLUMVHPZLE-SSDOTTSWSA-N
MW138.17 g/mol
LogP0.82
Rot. Bonds2

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

(4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one (PubChem CID 13037858) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one
PubChem CID13037858
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=C[C@@H](O)CC1=O
InChIInChI=1S/C8H10O2/c1-2-3-6-4-7(9)5-8(6)10/h2,4,7,9H,1,3,5H2/t7-/m1/s1
InChIKeyZSYLSLUMVHPZLE-SSDOTTSWSA-N
XLogP0.82
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 ≤ 50.82
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 (4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one?
The IUPAC name of (4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one (CID 13037858) is (4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one is C=CCC1=C[C@@H](O)CC1=O.
What is the InChIKey of (4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one?
The InChIKey is ZSYLSLUMVHPZLE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-3-6-4-7(9)5-8(6)10/h2,4,7,9H,1,3,5H2/t7-/m1/s1.
What are the key properties of (4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one?
(4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one has a molecular weight of 138.17 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one is sourced from PubChem (CID 13037858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).