sodium 2-methanidylfuran

C5H5NaO — CID 141212226

IUPACsodium 2-methanidylfuran
SMILES[CH2-]c1ccco1.[Na+]
InChIInChI=1S/C5H5O.Na/c1-5-3-2-4-6-5;/h2-4H,1H2;/q-1;+1
InChIKeyYUHBNSJWOAOIRY-UHFFFAOYSA-N
MW104.08 g/mol
LogP-1.53
Rot. Bonds

About sodium 2-methanidylfuran

sodium 2-methanidylfuran (PubChem CID 141212226) has the molecular formula C5H5NaO and a molecular weight of 104.08 g/mol. Its IUPAC name is sodium 2-methanidylfuran.

Molecular Properties

Compound Namesodium 2-methanidylfuran
PubChem CID141212226
Molecular FormulaC5H5NaO
Molecular Weight104.08 g/mol
Exact Mass104.02
IUPAC Namesodium 2-methanidylfuran
SMILES[CH2-]c1ccco1.[Na+]
InChIInChI=1S/C5H5O.Na/c1-5-3-2-4-6-5;/h2-4H,1H2;/q-1;+1
InChIKeyYUHBNSJWOAOIRY-UHFFFAOYSA-N
XLogP-1.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.08
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 2-methanidylfuran?
The IUPAC name of sodium 2-methanidylfuran (CID 141212226) is sodium 2-methanidylfuran.
What is the SMILES notation for sodium 2-methanidylfuran?
The canonical SMILES for sodium 2-methanidylfuran is [CH2-]c1ccco1.[Na+].
What is the InChIKey of sodium 2-methanidylfuran?
The InChIKey is YUHBNSJWOAOIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5O.Na/c1-5-3-2-4-6-5;/h2-4H,1H2;/q-1;+1.
What are the key properties of sodium 2-methanidylfuran?
sodium 2-methanidylfuran has a molecular weight of 104.08 g/mol, XLogP of -1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methanidylfuran is sourced from PubChem (CID 141212226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).