sodium 1-formamidocyclopropane-1-carboxylate

C5H6NNaO3 — CID 23720640

IUPACsodium 1-formamidocyclopropane-1-carboxylate
SMILESO=CNC1(C(=O)[O-])CC1.[Na+]
InChIInChI=1S/C5H7NO3.Na/c7-3-6-5(1-2-5)4(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1
InChIKeyFGWIXWYUUAAMAJ-UHFFFAOYSA-M
MW151.10 g/mol
LogP-4.98
Rot. Bonds3

About sodium 1-formamidocyclopropane-1-carboxylate

sodium 1-formamidocyclopropane-1-carboxylate (PubChem CID 23720640) has the molecular formula C5H6NNaO3 and a molecular weight of 151.10 g/mol. Its IUPAC name is sodium 1-formamidocyclopropane-1-carboxylate.

Molecular Properties

Compound Namesodium 1-formamidocyclopropane-1-carboxylate
PubChem CID23720640
Molecular FormulaC5H6NNaO3
Molecular Weight151.10 g/mol
Exact Mass151.02
IUPAC Namesodium 1-formamidocyclopropane-1-carboxylate
SMILESO=CNC1(C(=O)[O-])CC1.[Na+]
InChIInChI=1S/C5H7NO3.Na/c7-3-6-5(1-2-5)4(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1
InChIKeyFGWIXWYUUAAMAJ-UHFFFAOYSA-M
XLogP-4.98
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.10
LogP ≤ 5-4.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 1-formamidocyclopropane-1-carboxylate?
The IUPAC name of sodium 1-formamidocyclopropane-1-carboxylate (CID 23720640) is sodium 1-formamidocyclopropane-1-carboxylate.
What is the SMILES notation for sodium 1-formamidocyclopropane-1-carboxylate?
The canonical SMILES for sodium 1-formamidocyclopropane-1-carboxylate is O=CNC1(C(=O)[O-])CC1.[Na+].
What is the InChIKey of sodium 1-formamidocyclopropane-1-carboxylate?
The InChIKey is FGWIXWYUUAAMAJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NO3.Na/c7-3-6-5(1-2-5)4(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1.
What are the key properties of sodium 1-formamidocyclopropane-1-carboxylate?
sodium 1-formamidocyclopropane-1-carboxylate has a molecular weight of 151.10 g/mol, XLogP of -4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-formamidocyclopropane-1-carboxylate is sourced from PubChem (CID 23720640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).