sodium;hydride;1H-imidazol-2-yl acetate

C5H7N2NaO2 — CID 173104751

IUPACsodium;hydride;1H-imidazol-2-yl acetate
SMILESCC(=O)Oc1ncc[nH]1.[H-].[Na+]
InChIInChI=1S/C5H6N2O2.Na.H/c1-4(8)9-5-6-2-3-7-5;;/h2-3H,1H3,(H,6,7);;/q;+1;-1
InChIKeyXGYOIOGJLBOHDA-UHFFFAOYSA-N
MW150.11 g/mol
LogP-2.55
Rot. Bonds1

About sodium;hydride;1H-imidazol-2-yl acetate

sodium;hydride;1H-imidazol-2-yl acetate (PubChem CID 173104751) has the molecular formula C5H7N2NaO2 and a molecular weight of 150.11 g/mol. Its IUPAC name is sodium;hydride;1H-imidazol-2-yl acetate.

Molecular Properties

Compound Namesodium;hydride;1H-imidazol-2-yl acetate
PubChem CID173104751
Molecular FormulaC5H7N2NaO2
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Namesodium;hydride;1H-imidazol-2-yl acetate
SMILESCC(=O)Oc1ncc[nH]1.[H-].[Na+]
InChIInChI=1S/C5H6N2O2.Na.H/c1-4(8)9-5-6-2-3-7-5;;/h2-3H,1H3,(H,6,7);;/q;+1;-1
InChIKeyXGYOIOGJLBOHDA-UHFFFAOYSA-N
XLogP-2.55
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 5-2.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1H-imidazol-2-yl acetate?
The IUPAC name of sodium;hydride;1H-imidazol-2-yl acetate (CID 173104751) is sodium;hydride;1H-imidazol-2-yl acetate.
What is the SMILES notation for sodium;hydride;1H-imidazol-2-yl acetate?
The canonical SMILES for sodium;hydride;1H-imidazol-2-yl acetate is CC(=O)Oc1ncc[nH]1.[H-].[Na+].
What is the InChIKey of sodium;hydride;1H-imidazol-2-yl acetate?
The InChIKey is XGYOIOGJLBOHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.Na.H/c1-4(8)9-5-6-2-3-7-5;;/h2-3H,1H3,(H,6,7);;/q;+1;-1.
What are the key properties of sodium;hydride;1H-imidazol-2-yl acetate?
sodium;hydride;1H-imidazol-2-yl acetate has a molecular weight of 150.11 g/mol, XLogP of -2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1H-imidazol-2-yl acetate is sourced from PubChem (CID 173104751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).