sodium;2-methylprop-2-enamide;propane

C7H14NNaO — CID 159451329

IUPACsodium;2-methylprop-2-enamide;propane
SMILESC=C(C)C(N)=O.C[CH-]C.[Na+]
InChIInChI=1S/C4H7NO.C3H7.Na/c1-3(2)4(5)6;1-3-2;/h1H2,2H3,(H2,5,6);3H,1-2H3;/q;-1;+1
InChIKeyLDZVTKAWYWHWGA-UHFFFAOYSA-N
MW151.18 g/mol
LogP-1.72
Rot. Bonds1

About sodium;2-methylprop-2-enamide;propane

sodium;2-methylprop-2-enamide;propane (PubChem CID 159451329) has the molecular formula C7H14NNaO and a molecular weight of 151.18 g/mol. Its IUPAC name is sodium;2-methylprop-2-enamide;propane.

Molecular Properties

Compound Namesodium;2-methylprop-2-enamide;propane
PubChem CID159451329
Molecular FormulaC7H14NNaO
Molecular Weight151.18 g/mol
Exact Mass151.10
IUPAC Namesodium;2-methylprop-2-enamide;propane
SMILESC=C(C)C(N)=O.C[CH-]C.[Na+]
InChIInChI=1S/C4H7NO.C3H7.Na/c1-3(2)4(5)6;1-3-2;/h1H2,2H3,(H2,5,6);3H,1-2H3;/q;-1;+1
InChIKeyLDZVTKAWYWHWGA-UHFFFAOYSA-N
XLogP-1.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 5-1.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enamide;hydrate
CID 88749193
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078
bis(2-methylprop-2-enamide);phosphoric acid
CID 87675275
2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one
CID 159159357
ethenol;2-methylprop-2-enamide
CID 87880771
hexane-1,6-diol;bis(2-methylprop-2-enamide)
CID 122530831
dodecane;bis(2-methylprop-2-enamide)
CID 87149534
2-methylprop-2-enamide;prop-2-en-1-ol
CID 174804195
2-methylprop-2-enamide;prop-2-enoyl chloride
CID 174876854
(2R)-2-aminopropanoic acid;2-methylprop-2-enamide
CID 175865115
2-methylpropane-2-sulfonic acid;2-methylprop-2-enamide
CID 22495091
2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid
CID 157463819

Frequently Asked Questions

What is the IUPAC name of sodium;2-methylprop-2-enamide;propane?
The IUPAC name of sodium;2-methylprop-2-enamide;propane (CID 159451329) is sodium;2-methylprop-2-enamide;propane.
What is the SMILES notation for sodium;2-methylprop-2-enamide;propane?
The canonical SMILES for sodium;2-methylprop-2-enamide;propane is C=C(C)C(N)=O.C[CH-]C.[Na+].
What is the InChIKey of sodium;2-methylprop-2-enamide;propane?
The InChIKey is LDZVTKAWYWHWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C3H7.Na/c1-3(2)4(5)6;1-3-2;/h1H2,2H3,(H2,5,6);3H,1-2H3;/q;-1;+1.
What are the key properties of sodium;2-methylprop-2-enamide;propane?
sodium;2-methylprop-2-enamide;propane has a molecular weight of 151.18 g/mol, XLogP of -1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-methylprop-2-enamide;propane is sourced from PubChem (CID 159451329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).