(1R,3S)-cyclopent-4-ene-1,3-diol

C5H8O2 — CID 10148988

IUPAC(1R,3S)-cyclopent-4-ene-1,3-diol
SMILESO[C@@H]1C=C[C@H](O)C1
InChIInChI=1S/C5H8O2/c6-4-1-2-5(7)3-4/h1-2,4-7H,3H2/t4-,5+
InChIKeyIGRLIBJHDBWKNA-SYDPRGILSA-N
MW100.12 g/mol
LogP-0.33
Rot. Bonds

About (1R,3S)-cyclopent-4-ene-1,3-diol

(1R,3S)-cyclopent-4-ene-1,3-diol (PubChem CID 10148988) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (1R,3S)-cyclopent-4-ene-1,3-diol.

Molecular Properties

Compound Name(1R,3S)-cyclopent-4-ene-1,3-diol
PubChem CID10148988
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(1R,3S)-cyclopent-4-ene-1,3-diol
SMILESO[C@@H]1C=C[C@H](O)C1
InChIInChI=1S/C5H8O2/c6-4-1-2-5(7)3-4/h1-2,4-7H,3H2/t4-,5+
InChIKeyIGRLIBJHDBWKNA-SYDPRGILSA-N
XLogP-0.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
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 (1R,3S)-cyclopent-4-ene-1,3-diol?
The IUPAC name of (1R,3S)-cyclopent-4-ene-1,3-diol (CID 10148988) is (1R,3S)-cyclopent-4-ene-1,3-diol.
What is the SMILES notation for (1R,3S)-cyclopent-4-ene-1,3-diol?
The canonical SMILES for (1R,3S)-cyclopent-4-ene-1,3-diol is O[C@@H]1C=C[C@H](O)C1.
What is the InChIKey of (1R,3S)-cyclopent-4-ene-1,3-diol?
The InChIKey is IGRLIBJHDBWKNA-SYDPRGILSA-N. The full InChI is InChI=1S/C5H8O2/c6-4-1-2-5(7)3-4/h1-2,4-7H,3H2/t4-,5+.
What are the key properties of (1R,3S)-cyclopent-4-ene-1,3-diol?
(1R,3S)-cyclopent-4-ene-1,3-diol has a molecular weight of 100.12 g/mol, XLogP of -0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-cyclopent-4-ene-1,3-diol is sourced from PubChem (CID 10148988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).