sodium;carbanide;3H-furan-2-one

C5H7NaO2 — CID 88538140

IUPACsodium;carbanide;3H-furan-2-one
SMILESO=C1CC=CO1.[CH3-].[Na+]
InChIInChI=1S/C4H4O2.CH3.Na/c5-4-2-1-3-6-4;;/h1,3H,2H2;1H3;/q;-1;+1
InChIKeyMGXIBMSUHFEKDZ-UHFFFAOYSA-N
MW122.10 g/mol
LogP-2.10
Rot. Bonds

About sodium;carbanide;3H-furan-2-one

sodium;carbanide;3H-furan-2-one (PubChem CID 88538140) has the molecular formula C5H7NaO2 and a molecular weight of 122.10 g/mol. Its IUPAC name is sodium;carbanide;3H-furan-2-one.

Molecular Properties

Compound Namesodium;carbanide;3H-furan-2-one
PubChem CID88538140
Molecular FormulaC5H7NaO2
Molecular Weight122.10 g/mol
Exact Mass122.03
IUPAC Namesodium;carbanide;3H-furan-2-one
SMILESO=C1CC=CO1.[CH3-].[Na+]
InChIInChI=1S/C4H4O2.CH3.Na/c5-4-2-1-3-6-4;;/h1,3H,2H2;1H3;/q;-1;+1
InChIKeyMGXIBMSUHFEKDZ-UHFFFAOYSA-N
XLogP-2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.10
LogP ≤ 5-2.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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;carbanide;3H-furan-2-one?
The IUPAC name of sodium;carbanide;3H-furan-2-one (CID 88538140) is sodium;carbanide;3H-furan-2-one.
What is the SMILES notation for sodium;carbanide;3H-furan-2-one?
The canonical SMILES for sodium;carbanide;3H-furan-2-one is O=C1CC=CO1.[CH3-].[Na+].
What is the InChIKey of sodium;carbanide;3H-furan-2-one?
The InChIKey is MGXIBMSUHFEKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O2.CH3.Na/c5-4-2-1-3-6-4;;/h1,3H,2H2;1H3;/q;-1;+1.
What are the key properties of sodium;carbanide;3H-furan-2-one?
sodium;carbanide;3H-furan-2-one has a molecular weight of 122.10 g/mol, XLogP of -2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbanide;3H-furan-2-one is sourced from PubChem (CID 88538140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).