sodium;hydride;N-propan-2-ylprop-2-enamide

C6H12NNaO — CID 173347226

IUPACsodium;hydride;N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)C.[H-].[Na+]
InChIInChI=1S/C6H11NO.Na.H/c1-4-6(8)7-5(2)3;;/h4-5H,1H2,2-3H3,(H,7,8);;/q;+1;-1
InChIKeyWIKUTPSYTUATKD-UHFFFAOYSA-N
MW137.16 g/mol
LogP-2.19
Rot. Bonds2

About sodium;hydride;N-propan-2-ylprop-2-enamide

sodium;hydride;N-propan-2-ylprop-2-enamide (PubChem CID 173347226) has the molecular formula C6H12NNaO and a molecular weight of 137.16 g/mol. Its IUPAC name is sodium;hydride;N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Namesodium;hydride;N-propan-2-ylprop-2-enamide
PubChem CID173347226
Molecular FormulaC6H12NNaO
Molecular Weight137.16 g/mol
Exact Mass137.08
IUPAC Namesodium;hydride;N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)C.[H-].[Na+]
InChIInChI=1S/C6H11NO.Na.H/c1-4-6(8)7-5(2)3;;/h4-5H,1H2,2-3H3,(H,7,8);;/q;+1;-1
InChIKeyWIKUTPSYTUATKD-UHFFFAOYSA-N
XLogP-2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 5-2.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;N-propan-2-ylprop-2-enamide?
The IUPAC name of sodium;hydride;N-propan-2-ylprop-2-enamide (CID 173347226) is sodium;hydride;N-propan-2-ylprop-2-enamide.
What is the SMILES notation for sodium;hydride;N-propan-2-ylprop-2-enamide?
The canonical SMILES for sodium;hydride;N-propan-2-ylprop-2-enamide is C=CC(=O)NC(C)C.[H-].[Na+].
What is the InChIKey of sodium;hydride;N-propan-2-ylprop-2-enamide?
The InChIKey is WIKUTPSYTUATKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.Na.H/c1-4-6(8)7-5(2)3;;/h4-5H,1H2,2-3H3,(H,7,8);;/q;+1;-1.
What are the key properties of sodium;hydride;N-propan-2-ylprop-2-enamide?
sodium;hydride;N-propan-2-ylprop-2-enamide has a molecular weight of 137.16 g/mol, XLogP of -2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 173347226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).