potassium 1-formamidocyclopropane-1-carboxylate

C5H6KNO3 — CID 23720641

IUPACpotassium 1-formamidocyclopropane-1-carboxylate
SMILESO=CNC1(C(=O)[O-])CC1.[K+]
InChIInChI=1S/C5H7NO3.K/c7-3-6-5(1-2-5)4(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1
InChIKeyXMKLYFYOLXFGRK-UHFFFAOYSA-M
MW167.20 g/mol
LogP-4.98
Rot. Bonds3

About potassium 1-formamidocyclopropane-1-carboxylate

potassium 1-formamidocyclopropane-1-carboxylate (PubChem CID 23720641) has the molecular formula C5H6KNO3 and a molecular weight of 167.20 g/mol. Its IUPAC name is potassium 1-formamidocyclopropane-1-carboxylate.

Molecular Properties

Compound Namepotassium 1-formamidocyclopropane-1-carboxylate
PubChem CID23720641
Molecular FormulaC5H6KNO3
Molecular Weight167.20 g/mol
Exact Mass167.00
IUPAC Namepotassium 1-formamidocyclopropane-1-carboxylate
SMILESO=CNC1(C(=O)[O-])CC1.[K+]
InChIInChI=1S/C5H7NO3.K/c7-3-6-5(1-2-5)4(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1
InChIKeyXMKLYFYOLXFGRK-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 ≤ 500167.20
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 potassium 1-formamidocyclopropane-1-carboxylate?
The IUPAC name of potassium 1-formamidocyclopropane-1-carboxylate (CID 23720641) is potassium 1-formamidocyclopropane-1-carboxylate.
What is the SMILES notation for potassium 1-formamidocyclopropane-1-carboxylate?
The canonical SMILES for potassium 1-formamidocyclopropane-1-carboxylate is O=CNC1(C(=O)[O-])CC1.[K+].
What is the InChIKey of potassium 1-formamidocyclopropane-1-carboxylate?
The InChIKey is XMKLYFYOLXFGRK-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NO3.K/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 potassium 1-formamidocyclopropane-1-carboxylate?
potassium 1-formamidocyclopropane-1-carboxylate has a molecular weight of 167.20 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 potassium 1-formamidocyclopropane-1-carboxylate is sourced from PubChem (CID 23720641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).