sodium;carbanide;methanone

C2H4NaO- — CID 58059383

IUPACsodium;carbanide;methanone
SMILES[CH-]=O.[CH3-].[Na+]
InChIInChI=1S/CHO.CH3.Na/c1-2;;/h1H;1H3;/q2*-1;+1
InChIKeyITVUJQQTSPEASH-UHFFFAOYSA-N
MW67.04 g/mol
LogP-2.82
Rot. Bonds

About sodium;carbanide;methanone

sodium;carbanide;methanone (PubChem CID 58059383) has the molecular formula C2H4NaO- and a molecular weight of 67.04 g/mol. Its IUPAC name is sodium;carbanide;methanone.

Molecular Properties

Compound Namesodium;carbanide;methanone
PubChem CID58059383
Molecular FormulaC2H4NaO-
Molecular Weight67.04 g/mol
Exact Mass67.02
IUPAC Namesodium;carbanide;methanone
SMILES[CH-]=O.[CH3-].[Na+]
InChIInChI=1S/CHO.CH3.Na/c1-2;;/h1H;1H3;/q2*-1;+1
InChIKeyITVUJQQTSPEASH-UHFFFAOYSA-N
XLogP-2.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50067.04
LogP ≤ 5-2.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 21138399
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CID 87629178
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CID 140580744
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CID 59047730
methanone;technetium
CID 87143349
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CID 159005271
methanone;vanadium(2+)
CID 22892185
methanone;nickel(2+)
CID 22982994
methanone;rhodium(2+)
CID 20723931
dicesium;methanone
CID 59087112

Frequently Asked Questions

What is the IUPAC name of sodium;carbanide;methanone?
The IUPAC name of sodium;carbanide;methanone (CID 58059383) is sodium;carbanide;methanone.
What is the SMILES notation for sodium;carbanide;methanone?
The canonical SMILES for sodium;carbanide;methanone is [CH-]=O.[CH3-].[Na+].
What is the InChIKey of sodium;carbanide;methanone?
The InChIKey is ITVUJQQTSPEASH-UHFFFAOYSA-N. The full InChI is InChI=1S/CHO.CH3.Na/c1-2;;/h1H;1H3;/q2*-1;+1.
What are the key properties of sodium;carbanide;methanone?
sodium;carbanide;methanone has a molecular weight of 67.04 g/mol, XLogP of -2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbanide;methanone is sourced from PubChem (CID 58059383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).