sodium;ethyl 2-methylprop-2-enoate;hydride

C6H11NaO2 — CID 173442862

IUPACsodium;ethyl 2-methylprop-2-enoate;hydride
SMILESC=C(C)C(=O)OCC.[H-].[Na+]
InChIInChI=1S/C6H10O2.Na.H/c1-4-8-6(7)5(2)3;;/h2,4H2,1,3H3;;/q;+1;-1
InChIKeyGNZYAFHERKPQEZ-UHFFFAOYSA-N
MW138.14 g/mol
LogP-1.76
Rot. Bonds2

About sodium;ethyl 2-methylprop-2-enoate;hydride

sodium;ethyl 2-methylprop-2-enoate;hydride (PubChem CID 173442862) has the molecular formula C6H11NaO2 and a molecular weight of 138.14 g/mol. Its IUPAC name is sodium;ethyl 2-methylprop-2-enoate;hydride.

Molecular Properties

Compound Namesodium;ethyl 2-methylprop-2-enoate;hydride
PubChem CID173442862
Molecular FormulaC6H11NaO2
Molecular Weight138.14 g/mol
Exact Mass138.07
IUPAC Namesodium;ethyl 2-methylprop-2-enoate;hydride
SMILESC=C(C)C(=O)OCC.[H-].[Na+]
InChIInChI=1S/C6H10O2.Na.H/c1-4-8-6(7)5(2)3;;/h2,4H2,1,3H3;;/q;+1;-1
InChIKeyGNZYAFHERKPQEZ-UHFFFAOYSA-N
XLogP-1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 5-1.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium;ethyl 2-methylprop-2-enoate;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

sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate
CID 130475774
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
cyanic acid;ethyl 2-methylprop-2-enoate
CID 172737974
butanedioic acid;bis(ethyl 2-methylprop-2-enoate)
CID 22400036
butan-2-ol;ethyl 2-methylprop-2-enoate
CID 91162607
adamantane;ethyl 2-methylprop-2-enoate
CID 175529705
ethyl 2-methylprop-2-enoate;N-methylformamide
CID 158565771
ethyl 2-methylprop-2-enoate;isocyanic acid;2-methylprop-2-enoic acid
CID 156565147

Frequently Asked Questions

What is the IUPAC name of sodium;ethyl 2-methylprop-2-enoate;hydride?
The IUPAC name of sodium;ethyl 2-methylprop-2-enoate;hydride (CID 173442862) is sodium;ethyl 2-methylprop-2-enoate;hydride.
What is the SMILES notation for sodium;ethyl 2-methylprop-2-enoate;hydride?
The canonical SMILES for sodium;ethyl 2-methylprop-2-enoate;hydride is C=C(C)C(=O)OCC.[H-].[Na+].
What is the InChIKey of sodium;ethyl 2-methylprop-2-enoate;hydride?
The InChIKey is GNZYAFHERKPQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.Na.H/c1-4-8-6(7)5(2)3;;/h2,4H2,1,3H3;;/q;+1;-1.
What are the key properties of sodium;ethyl 2-methylprop-2-enoate;hydride?
sodium;ethyl 2-methylprop-2-enoate;hydride has a molecular weight of 138.14 g/mol, XLogP of -1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethyl 2-methylprop-2-enoate;hydride is sourced from PubChem (CID 173442862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).