cyclopropanecarboxylic acid

C4H6O2 — CID 15655

IUPACcyclopropanecarboxylic acid
SMILESO=C(O)C1CC1
InChIInChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)
InChIKeyYMGUBTXCNDTFJI-UHFFFAOYSA-N
MW86.09 g/mol
LogP0.48
Rot. Bonds1

About cyclopropanecarboxylic acid

cyclopropanecarboxylic acid (PubChem CID 15655) has the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol. Its IUPAC name is cyclopropanecarboxylic acid.

Molecular Properties

Compound Namecyclopropanecarboxylic acid
PubChem CID15655
Molecular FormulaC4H6O2
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Namecyclopropanecarboxylic acid
SMILESO=C(O)C1CC1
InChIInChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)
InChIKeyYMGUBTXCNDTFJI-UHFFFAOYSA-N
XLogP0.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Fluorocyclopropane-1-carboxylic acid
CID 9793715
cis-2-Fluorocyclopropanecarboxylic acid
CID 9793716
(1R,2R)-2-fluorocyclopropane-1-carboxylic acid
CID 10011855
2,2-Difluorocyclopropane-1-carboxylic acid
CID 2782823
rac-(1R,2S)-2-fluorocyclopropane-1-carboxylic acid
CID 10103129
2-Fluorocyclopropane-1-carboxylic acid
CID 10125050
Cyclopropanecarboxylate
CID 6992810
(1R)-2,2-difluorocyclopropane-1-carboxylic acid
CID 7016556
(1S)-2,2-difluorocyclopropane-1-carboxylic acid
CID 7171884
(1R,2S)-2-fluorocyclopropane-1-carboxylic acid
CID 46738189
Cyclopropanecarboxylic acid, silver(I) salt
CID 24194697
(1R,2R)-2-iodocyclopropanecarboxylic acid
CID 11206614

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarboxylic acid?
The IUPAC name of cyclopropanecarboxylic acid (CID 15655) is cyclopropanecarboxylic acid.
What is the SMILES notation for cyclopropanecarboxylic acid?
The canonical SMILES for cyclopropanecarboxylic acid is O=C(O)C1CC1.
What is the InChIKey of cyclopropanecarboxylic acid?
The InChIKey is YMGUBTXCNDTFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6).
What are the key properties of cyclopropanecarboxylic acid?
cyclopropanecarboxylic acid has a molecular weight of 86.09 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarboxylic acid is sourced from PubChem (CID 15655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).