sodium;benzonitrile;ethane

C9H10NNa — CID 174741528

IUPACsodium;benzonitrile;ethane
SMILESN#Cc1ccccc1.[CH2-]C.[Na+]
InChIInChI=1S/C7H5N.C2H5.Na/c8-6-7-4-2-1-3-5-7;1-2;/h1-5H;1H2,2H3;/q;-1;+1
InChIKeyLTKZBAJHIXUVRE-UHFFFAOYSA-N
MW155.18 g/mol
LogP-0.60
Rot. Bonds

About sodium;benzonitrile;ethane

sodium;benzonitrile;ethane (PubChem CID 174741528) has the molecular formula C9H10NNa and a molecular weight of 155.18 g/mol. Its IUPAC name is sodium;benzonitrile;ethane.

Molecular Properties

Compound Namesodium;benzonitrile;ethane
PubChem CID174741528
Molecular FormulaC9H10NNa
Molecular Weight155.18 g/mol
Exact Mass155.07
IUPAC Namesodium;benzonitrile;ethane
SMILESN#Cc1ccccc1.[CH2-]C.[Na+]
InChIInChI=1S/C7H5N.C2H5.Na/c8-6-7-4-2-1-3-5-7;1-2;/h1-5H;1H2,2H3;/q;-1;+1
InChIKeyLTKZBAJHIXUVRE-UHFFFAOYSA-N
XLogP-0.60
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;benzonitrile;ethane?
The IUPAC name of sodium;benzonitrile;ethane (CID 174741528) is sodium;benzonitrile;ethane.
What is the SMILES notation for sodium;benzonitrile;ethane?
The canonical SMILES for sodium;benzonitrile;ethane is N#Cc1ccccc1.[CH2-]C.[Na+].
What is the InChIKey of sodium;benzonitrile;ethane?
The InChIKey is LTKZBAJHIXUVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N.C2H5.Na/c8-6-7-4-2-1-3-5-7;1-2;/h1-5H;1H2,2H3;/q;-1;+1.
What are the key properties of sodium;benzonitrile;ethane?
sodium;benzonitrile;ethane has a molecular weight of 155.18 g/mol, XLogP of -0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;benzonitrile;ethane is sourced from PubChem (CID 174741528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).