sodium 5-(furan-2-yl)penta-2,4-dienoate

C9H7NaO3 — CID 88822345

IUPACsodium 5-(furan-2-yl)penta-2,4-dienoate
SMILESO=C([O-])C=CC=Cc1ccco1.[Na+]
InChIInChI=1S/C9H8O3.Na/c10-9(11)6-2-1-4-8-5-3-7-12-8;/h1-7H,(H,10,11);/q;+1/p-1
InChIKeyJADQCHFNDYXWJI-UHFFFAOYSA-M
MW186.14 g/mol
LogP-2.40
Rot. Bonds3

About sodium 5-(furan-2-yl)penta-2,4-dienoate

sodium 5-(furan-2-yl)penta-2,4-dienoate (PubChem CID 88822345) has the molecular formula C9H7NaO3 and a molecular weight of 186.14 g/mol. Its IUPAC name is sodium 5-(furan-2-yl)penta-2,4-dienoate.

Molecular Properties

Compound Namesodium 5-(furan-2-yl)penta-2,4-dienoate
PubChem CID88822345
Molecular FormulaC9H7NaO3
Molecular Weight186.14 g/mol
Exact Mass186.03
IUPAC Namesodium 5-(furan-2-yl)penta-2,4-dienoate
SMILESO=C([O-])C=CC=Cc1ccco1.[Na+]
InChIInChI=1S/C9H8O3.Na/c10-9(11)6-2-1-4-8-5-3-7-12-8;/h1-7H,(H,10,11);/q;+1/p-1
InChIKeyJADQCHFNDYXWJI-UHFFFAOYSA-M
XLogP-2.40
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 5-2.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 5-(furan-2-yl)penta-2,4-dienoate?
The IUPAC name of sodium 5-(furan-2-yl)penta-2,4-dienoate (CID 88822345) is sodium 5-(furan-2-yl)penta-2,4-dienoate.
What is the SMILES notation for sodium 5-(furan-2-yl)penta-2,4-dienoate?
The canonical SMILES for sodium 5-(furan-2-yl)penta-2,4-dienoate is O=C([O-])C=CC=Cc1ccco1.[Na+].
What is the InChIKey of sodium 5-(furan-2-yl)penta-2,4-dienoate?
The InChIKey is JADQCHFNDYXWJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8O3.Na/c10-9(11)6-2-1-4-8-5-3-7-12-8;/h1-7H,(H,10,11);/q;+1/p-1.
What are the key properties of sodium 5-(furan-2-yl)penta-2,4-dienoate?
sodium 5-(furan-2-yl)penta-2,4-dienoate has a molecular weight of 186.14 g/mol, XLogP of -2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-(furan-2-yl)penta-2,4-dienoate is sourced from PubChem (CID 88822345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).