(5S)-4,5-dihydroxy-2-[(E)-prop-1-enyl]cyclopent-2-en-1-one

C8H10O3 — CID 131236897

IUPAC(5S)-4,5-dihydroxy-2-[(E)-prop-1-enyl]cyclopent-2-en-1-one
SMILESC/C=C/C1=CC(O)[C@H](O)C1=O
InChIInChI=1S/C8H10O3/c1-2-3-5-4-6(9)8(11)7(5)10/h2-4,6,8-9,11H,1H3/b3-2+/t6?,8-/m0/s1
InChIKeyZAGNSSSEBATPLU-GIEUBMODSA-N
MW154.16 g/mol
LogP-0.21
Rot. Bonds1

About (5S)-4,5-dihydroxy-2-[(E)-prop-1-enyl]cyclopent-2-en-1-one

(5S)-4,5-dihydroxy-2-[(E)-prop-1-enyl]cyclopent-2-en-1-one (PubChem CID 131236897) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (5S)-4,5-dihydroxy-2-[(E)-prop-1-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(5S)-4,5-dihydroxy-2-[(E)-prop-1-enyl]cyclopent-2-en-1-one
PubChem CID131236897
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(5S)-4,5-dihydroxy-2-[(E)-prop-1-enyl]cyclopent-2-en-1-one
SMILESC/C=C/C1=CC(O)[C@H](O)C1=O
InChIInChI=1S/C8H10O3/c1-2-3-5-4-6(9)8(11)7(5)10/h2-4,6,8-9,11H,1H3/b3-2+/t6?,8-/m0/s1
InChIKeyZAGNSSSEBATPLU-GIEUBMODSA-N
XLogP-0.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-4,5-dihydroxy-2-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
The IUPAC name of (5S)-4,5-dihydroxy-2-[(E)-prop-1-enyl]cyclopent-2-en-1-one (CID 131236897) is (5S)-4,5-dihydroxy-2-[(E)-prop-1-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for (5S)-4,5-dihydroxy-2-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
The canonical SMILES for (5S)-4,5-dihydroxy-2-[(E)-prop-1-enyl]cyclopent-2-en-1-one is C/C=C/C1=CC(O)[C@H](O)C1=O.
What is the InChIKey of (5S)-4,5-dihydroxy-2-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
The InChIKey is ZAGNSSSEBATPLU-GIEUBMODSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-3-5-4-6(9)8(11)7(5)10/h2-4,6,8-9,11H,1H3/b3-2+/t6?,8-/m0/s1.
What are the key properties of (5S)-4,5-dihydroxy-2-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
(5S)-4,5-dihydroxy-2-[(E)-prop-1-enyl]cyclopent-2-en-1-one has a molecular weight of 154.16 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4,5-dihydroxy-2-[(E)-prop-1-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 131236897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).