sodium 3-hydroxycyclopentene-1-carboxylate

C6H7NaO3 — CID 73346311

IUPACsodium 3-hydroxycyclopentene-1-carboxylate
SMILESO=C([O-])C1=CC(O)CC1.[Na+]
InChIInChI=1S/C6H8O3.Na/c7-5-2-1-4(3-5)6(8)9;/h3,5,7H,1-2H2,(H,8,9);/q;+1/p-1
InChIKeyWRKOBICFHXLSID-UHFFFAOYSA-M
MW150.11 g/mol
LogP-4.18
Rot. Bonds1

About sodium 3-hydroxycyclopentene-1-carboxylate

sodium 3-hydroxycyclopentene-1-carboxylate (PubChem CID 73346311) has the molecular formula C6H7NaO3 and a molecular weight of 150.11 g/mol. Its IUPAC name is sodium 3-hydroxycyclopentene-1-carboxylate.

Molecular Properties

Compound Namesodium 3-hydroxycyclopentene-1-carboxylate
PubChem CID73346311
Molecular FormulaC6H7NaO3
Molecular Weight150.11 g/mol
Exact Mass150.03
IUPAC Namesodium 3-hydroxycyclopentene-1-carboxylate
SMILESO=C([O-])C1=CC(O)CC1.[Na+]
InChIInChI=1S/C6H8O3.Na/c7-5-2-1-4(3-5)6(8)9;/h3,5,7H,1-2H2,(H,8,9);/q;+1/p-1
InChIKeyWRKOBICFHXLSID-UHFFFAOYSA-M
XLogP-4.18
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 5-4.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 3-hydroxycyclopentene-1-carboxylate?
The IUPAC name of sodium 3-hydroxycyclopentene-1-carboxylate (CID 73346311) is sodium 3-hydroxycyclopentene-1-carboxylate.
What is the SMILES notation for sodium 3-hydroxycyclopentene-1-carboxylate?
The canonical SMILES for sodium 3-hydroxycyclopentene-1-carboxylate is O=C([O-])C1=CC(O)CC1.[Na+].
What is the InChIKey of sodium 3-hydroxycyclopentene-1-carboxylate?
The InChIKey is WRKOBICFHXLSID-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O3.Na/c7-5-2-1-4(3-5)6(8)9;/h3,5,7H,1-2H2,(H,8,9);/q;+1/p-1.
What are the key properties of sodium 3-hydroxycyclopentene-1-carboxylate?
sodium 3-hydroxycyclopentene-1-carboxylate has a molecular weight of 150.11 g/mol, XLogP of -4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-hydroxycyclopentene-1-carboxylate is sourced from PubChem (CID 73346311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).