sodium 2-(5-hydroxycyclopent-2-en-1-yl)acetate

C7H9NaO3 — CID 23695361

IUPACsodium 2-(5-hydroxycyclopent-2-en-1-yl)acetate
SMILESO=C([O-])CC1C=CCC1O.[Na+]
InChIInChI=1S/C7H10O3.Na/c8-6-3-1-2-5(6)4-7(9)10;/h1-2,5-6,8H,3-4H2,(H,9,10);/q;+1/p-1
InChIKeyFVFZBXCINRYYOB-UHFFFAOYSA-M
MW164.14 g/mol
LogP-3.93
Rot. Bonds2

About sodium 2-(5-hydroxycyclopent-2-en-1-yl)acetate

sodium 2-(5-hydroxycyclopent-2-en-1-yl)acetate (PubChem CID 23695361) has the molecular formula C7H9NaO3 and a molecular weight of 164.14 g/mol. Its IUPAC name is sodium 2-(5-hydroxycyclopent-2-en-1-yl)acetate.

Molecular Properties

Compound Namesodium 2-(5-hydroxycyclopent-2-en-1-yl)acetate
PubChem CID23695361
Molecular FormulaC7H9NaO3
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Namesodium 2-(5-hydroxycyclopent-2-en-1-yl)acetate
SMILESO=C([O-])CC1C=CCC1O.[Na+]
InChIInChI=1S/C7H10O3.Na/c8-6-3-1-2-5(6)4-7(9)10;/h1-2,5-6,8H,3-4H2,(H,9,10);/q;+1/p-1
InChIKeyFVFZBXCINRYYOB-UHFFFAOYSA-M
XLogP-3.93
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 5-3.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 sodium 2-(5-hydroxycyclopent-2-en-1-yl)acetate?
The IUPAC name of sodium 2-(5-hydroxycyclopent-2-en-1-yl)acetate (CID 23695361) is sodium 2-(5-hydroxycyclopent-2-en-1-yl)acetate.
What is the SMILES notation for sodium 2-(5-hydroxycyclopent-2-en-1-yl)acetate?
The canonical SMILES for sodium 2-(5-hydroxycyclopent-2-en-1-yl)acetate is O=C([O-])CC1C=CCC1O.[Na+].
What is the InChIKey of sodium 2-(5-hydroxycyclopent-2-en-1-yl)acetate?
The InChIKey is FVFZBXCINRYYOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10O3.Na/c8-6-3-1-2-5(6)4-7(9)10;/h1-2,5-6,8H,3-4H2,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 2-(5-hydroxycyclopent-2-en-1-yl)acetate?
sodium 2-(5-hydroxycyclopent-2-en-1-yl)acetate has a molecular weight of 164.14 g/mol, XLogP of -3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(5-hydroxycyclopent-2-en-1-yl)acetate is sourced from PubChem (CID 23695361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).