sodium;but-3-enamide;hydride

C4H8NNaO — CID 175440454

IUPACsodium;but-3-enamide;hydride
SMILESC=CCC(N)=O.[H-].[Na+]
InChIInChI=1S/C4H7NO.Na.H/c1-2-3-4(5)6;;/h2H,1,3H2,(H2,5,6);;/q;+1;-1
InChIKeyJKMPLAOLWKWVIG-UHFFFAOYSA-N
MW109.10 g/mol
LogP-2.84
Rot. Bonds2

About sodium;but-3-enamide;hydride

sodium;but-3-enamide;hydride (PubChem CID 175440454) has the molecular formula C4H8NNaO and a molecular weight of 109.10 g/mol. Its IUPAC name is sodium;but-3-enamide;hydride.

Molecular Properties

Compound Namesodium;but-3-enamide;hydride
PubChem CID175440454
Molecular FormulaC4H8NNaO
Molecular Weight109.10 g/mol
Exact Mass109.05
IUPAC Namesodium;but-3-enamide;hydride
SMILESC=CCC(N)=O.[H-].[Na+]
InChIInChI=1S/C4H7NO.Na.H/c1-2-3-4(5)6;;/h2H,1,3H2,(H2,5,6);;/q;+1;-1
InChIKeyJKMPLAOLWKWVIG-UHFFFAOYSA-N
XLogP-2.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.10
LogP ≤ 5-2.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

but-3-enamide;ethenesulfonate
CID 86736729
ethene;hex-3-enediamide
CID 173451408
azane;2-methylidenepent-4-enamide
CID 87195427
calcium;hydride;pent-4-en-2-one
CID 174750875
3-amino-2-prop-2-enylhexa-2,5-dienoic acid
CID 87149470
(213C)pent-4-en-2-one
CID 173180315
but-1-ene;urea
CID 87757370
nona-1,8-diene-4,6-dione
CID 88861984
azane;prop-2-enyl but-3-enoate
CID 88514758
carbonic acid;4-methylidenehepta-1,6-diene
CID 88505176
(E)-2,3-bis(prop-2-enyl)but-2-enedioic acid
CID 87162043
azanium but-3-enoate
CID 87111540

Frequently Asked Questions

What is the IUPAC name of sodium;but-3-enamide;hydride?
The IUPAC name of sodium;but-3-enamide;hydride (CID 175440454) is sodium;but-3-enamide;hydride.
What is the SMILES notation for sodium;but-3-enamide;hydride?
The canonical SMILES for sodium;but-3-enamide;hydride is C=CCC(N)=O.[H-].[Na+].
What is the InChIKey of sodium;but-3-enamide;hydride?
The InChIKey is JKMPLAOLWKWVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.Na.H/c1-2-3-4(5)6;;/h2H,1,3H2,(H2,5,6);;/q;+1;-1.
What are the key properties of sodium;but-3-enamide;hydride?
sodium;but-3-enamide;hydride has a molecular weight of 109.10 g/mol, XLogP of -2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;but-3-enamide;hydride is sourced from PubChem (CID 175440454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).