cyclopropanecarboxylate

C4H5O2- — CID 6992810

IUPACcyclopropanecarboxylate
SMILESO=C([O-])C1CC1
InChIInChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)/p-1
InChIKeyYMGUBTXCNDTFJI-UHFFFAOYSA-M
MW85.08 g/mol
LogP-0.85
Rot. Bonds1

About cyclopropanecarboxylate

cyclopropanecarboxylate (PubChem CID 6992810) has the molecular formula C4H5O2- and a molecular weight of 85.08 g/mol. Its IUPAC name is cyclopropanecarboxylate.

Molecular Properties

Compound Namecyclopropanecarboxylate
PubChem CID6992810
Molecular FormulaC4H5O2-
Molecular Weight85.08 g/mol
Exact Mass85.03
IUPAC Namecyclopropanecarboxylate
SMILESO=C([O-])C1CC1
InChIInChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)/p-1
InChIKeyYMGUBTXCNDTFJI-UHFFFAOYSA-M
XLogP-0.85
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.08
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropanecarboxylate?
The IUPAC name of cyclopropanecarboxylate (CID 6992810) is cyclopropanecarboxylate.
What is the SMILES notation for cyclopropanecarboxylate?
The canonical SMILES for cyclopropanecarboxylate is O=C([O-])C1CC1.
What is the InChIKey of cyclopropanecarboxylate?
The InChIKey is YMGUBTXCNDTFJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)/p-1.
What are the key properties of cyclopropanecarboxylate?
cyclopropanecarboxylate has a molecular weight of 85.08 g/mol, XLogP of -0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarboxylate is sourced from PubChem (CID 6992810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).