sodium 4,5-dihydroimidazole-1-carboxylate

C4H5N2NaO2 — CID 141402498

IUPACsodium 4,5-dihydroimidazole-1-carboxylate
SMILESO=C([O-])N1C=NCC1.[Na+]
InChIInChI=1S/C4H6N2O2.Na/c7-4(8)6-2-1-5-3-6;/h3H,1-2H2,(H,7,8);/q;+1/p-1
InChIKeyFIYJOKQRKKTJOQ-UHFFFAOYSA-M
MW136.09 g/mol
LogP-4.32
Rot. Bonds

About sodium 4,5-dihydroimidazole-1-carboxylate

sodium 4,5-dihydroimidazole-1-carboxylate (PubChem CID 141402498) has the molecular formula C4H5N2NaO2 and a molecular weight of 136.09 g/mol. Its IUPAC name is sodium 4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Namesodium 4,5-dihydroimidazole-1-carboxylate
PubChem CID141402498
Molecular FormulaC4H5N2NaO2
Molecular Weight136.09 g/mol
Exact Mass136.02
IUPAC Namesodium 4,5-dihydroimidazole-1-carboxylate
SMILESO=C([O-])N1C=NCC1.[Na+]
InChIInChI=1S/C4H6N2O2.Na/c7-4(8)6-2-1-5-3-6;/h3H,1-2H2,(H,7,8);/q;+1/p-1
InChIKeyFIYJOKQRKKTJOQ-UHFFFAOYSA-M
XLogP-4.32
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.09
LogP ≤ 5-4.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of sodium 4,5-dihydroimidazole-1-carboxylate (CID 141402498) is sodium 4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for sodium 4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for sodium 4,5-dihydroimidazole-1-carboxylate is O=C([O-])N1C=NCC1.[Na+].
What is the InChIKey of sodium 4,5-dihydroimidazole-1-carboxylate?
The InChIKey is FIYJOKQRKKTJOQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6N2O2.Na/c7-4(8)6-2-1-5-3-6;/h3H,1-2H2,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 4,5-dihydroimidazole-1-carboxylate?
sodium 4,5-dihydroimidazole-1-carboxylate has a molecular weight of 136.09 g/mol, XLogP of -4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 141402498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).