sodium;N-benzyl-2-cyanoacetamide;hydride

C10H11N2NaO — CID 173433462

IUPACsodium;N-benzyl-2-cyanoacetamide;hydride
SMILESN#CCC(=O)NCc1ccccc1.[H-].[Na+]
InChIInChI=1S/C10H10N2O.Na.H/c11-7-6-10(13)12-8-9-4-2-1-3-5-9;;/h1-5H,6,8H2,(H,12,13);;/q;+1;-1
InChIKeyBMLFIUZILIKYMR-UHFFFAOYSA-N
MW198.20 g/mol
LogP-1.67
Rot. Bonds3

About sodium;N-benzyl-2-cyanoacetamide;hydride

sodium;N-benzyl-2-cyanoacetamide;hydride (PubChem CID 173433462) has the molecular formula C10H11N2NaO and a molecular weight of 198.20 g/mol. Its IUPAC name is sodium;N-benzyl-2-cyanoacetamide;hydride.

Molecular Properties

Compound Namesodium;N-benzyl-2-cyanoacetamide;hydride
PubChem CID173433462
Molecular FormulaC10H11N2NaO
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Namesodium;N-benzyl-2-cyanoacetamide;hydride
SMILESN#CCC(=O)NCc1ccccc1.[H-].[Na+]
InChIInChI=1S/C10H10N2O.Na.H/c11-7-6-10(13)12-8-9-4-2-1-3-5-9;;/h1-5H,6,8H2,(H,12,13);;/q;+1;-1
InChIKeyBMLFIUZILIKYMR-UHFFFAOYSA-N
XLogP-1.67
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
CID 20992997
2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide
CID 22682756
2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide
CID 20985387
2-cyano-N-[(4-fluorophenyl)methyl]acetamide
CID 4183587
2-cyano-N-[(4-formylphenyl)methyl]acetamide
CID 88911411
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
potassium;N-benzyl-3-chloropropanamide;hydride
CID 173065814
2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384971
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624
2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide
CID 60972076
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-2-sulfanylbenzamide
CID 108923212
2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide
CID 22683914

Frequently Asked Questions

What is the IUPAC name of sodium;N-benzyl-2-cyanoacetamide;hydride?
The IUPAC name of sodium;N-benzyl-2-cyanoacetamide;hydride (CID 173433462) is sodium;N-benzyl-2-cyanoacetamide;hydride.
What is the SMILES notation for sodium;N-benzyl-2-cyanoacetamide;hydride?
The canonical SMILES for sodium;N-benzyl-2-cyanoacetamide;hydride is N#CCC(=O)NCc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;N-benzyl-2-cyanoacetamide;hydride?
The InChIKey is BMLFIUZILIKYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.Na.H/c11-7-6-10(13)12-8-9-4-2-1-3-5-9;;/h1-5H,6,8H2,(H,12,13);;/q;+1;-1.
What are the key properties of sodium;N-benzyl-2-cyanoacetamide;hydride?
sodium;N-benzyl-2-cyanoacetamide;hydride has a molecular weight of 198.20 g/mol, XLogP of -1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-benzyl-2-cyanoacetamide;hydride is sourced from PubChem (CID 173433462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).