(4S)-4-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one

C8H10O2 — CID 139584457

IUPAC(4S)-4-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one
SMILESC/C=C/C1=CC(=O)C[C@@H]1O
InChIInChI=1S/C8H10O2/c1-2-3-6-4-7(9)5-8(6)10/h2-4,8,10H,5H2,1H3/b3-2+/t8-/m0/s1
InChIKeyCMDMLKOYBMVUPY-SGJFDWMWSA-N
MW138.17 g/mol
LogP0.82
Rot. Bonds1

About (4S)-4-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one

(4S)-4-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one (PubChem CID 139584457) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (4S)-4-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one
PubChem CID139584457
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(4S)-4-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one
SMILESC/C=C/C1=CC(=O)C[C@@H]1O
InChIInChI=1S/C8H10O2/c1-2-3-6-4-7(9)5-8(6)10/h2-4,8,10H,5H2,1H3/b3-2+/t8-/m0/s1
InChIKeyCMDMLKOYBMVUPY-SGJFDWMWSA-N
XLogP0.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
The IUPAC name of (4S)-4-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one (CID 139584457) is (4S)-4-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one is C/C=C/C1=CC(=O)C[C@@H]1O.
What is the InChIKey of (4S)-4-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
The InChIKey is CMDMLKOYBMVUPY-SGJFDWMWSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-3-6-4-7(9)5-8(6)10/h2-4,8,10H,5H2,1H3/b3-2+/t8-/m0/s1.
What are the key properties of (4S)-4-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
(4S)-4-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one has a molecular weight of 138.17 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 139584457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).