sodium;ethenyl carbamate;hydride

C3H6NNaO2 — CID 174882073

IUPACsodium;ethenyl carbamate;hydride
SMILESC=COC(N)=O.[H-].[Na+]
InChIInChI=1S/C3H5NO2.Na.H/c1-2-6-3(4)5;;/h2H,1H2,(H2,4,5);;/q;+1;-1
InChIKeyLWTPFXSUPJDGQB-UHFFFAOYSA-N
MW111.08 g/mol
LogP-2.66
Rot. Bonds1

About sodium;ethenyl carbamate;hydride

sodium;ethenyl carbamate;hydride (PubChem CID 174882073) has the molecular formula C3H6NNaO2 and a molecular weight of 111.08 g/mol. Its IUPAC name is sodium;ethenyl carbamate;hydride.

Molecular Properties

Compound Namesodium;ethenyl carbamate;hydride
PubChem CID174882073
Molecular FormulaC3H6NNaO2
Molecular Weight111.08 g/mol
Exact Mass111.03
IUPAC Namesodium;ethenyl carbamate;hydride
SMILESC=COC(N)=O.[H-].[Na+]
InChIInChI=1S/C3H5NO2.Na.H/c1-2-6-3(4)5;;/h2H,1H2,(H2,4,5);;/q;+1;-1
InChIKeyLWTPFXSUPJDGQB-UHFFFAOYSA-N
XLogP-2.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.08
LogP ≤ 5-2.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze sodium;ethenyl carbamate;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethenyl acetate
CID 7904
ethenyl prop-2-enoate;urea
CID 146453811
ethenyl 2-aminopropanoate
CID 23374910
buta-1,3-dienyl carbamate
CID 174727921
potassium;carbamoyl formate;hydride
CID 174868765
acetic acid;ethenyl acetate;guanidine;palladium
CID 174359280
ethenyl N-methoxycarbamate
CID 59601717
bis(ethenyl) carbonate;ethene
CID 87073622
ethenyl 2,2-dihydroxyacetate
CID 172859398
ethene;ethenyl acetate;hydrofluoride
CID 158693082
ethenyl 4-hydroxy-2-methylbutanoate
CID 174580533
3-ethenoxy-2-methyl-3-oxopropanoic acid
CID 139933111

Frequently Asked Questions

What is the IUPAC name of sodium;ethenyl carbamate;hydride?
The IUPAC name of sodium;ethenyl carbamate;hydride (CID 174882073) is sodium;ethenyl carbamate;hydride.
What is the SMILES notation for sodium;ethenyl carbamate;hydride?
The canonical SMILES for sodium;ethenyl carbamate;hydride is C=COC(N)=O.[H-].[Na+].
What is the InChIKey of sodium;ethenyl carbamate;hydride?
The InChIKey is LWTPFXSUPJDGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2.Na.H/c1-2-6-3(4)5;;/h2H,1H2,(H2,4,5);;/q;+1;-1.
What are the key properties of sodium;ethenyl carbamate;hydride?
sodium;ethenyl carbamate;hydride has a molecular weight of 111.08 g/mol, XLogP of -2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethenyl carbamate;hydride is sourced from PubChem (CID 174882073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).