2-propanoylcyclopropane-1-carboxylic acid

C7H10O3 — CID 68524876

IUPAC2-propanoylcyclopropane-1-carboxylic acid
SMILESCCC(=O)C1CC1C(=O)O
InChIInChI=1S/C7H10O3/c1-2-6(8)4-3-5(4)7(9)10/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyNPOWZAYIAPSICH-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.69
Rot. Bonds3

About 2-propanoylcyclopropane-1-carboxylic acid

2-propanoylcyclopropane-1-carboxylic acid (PubChem CID 68524876) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-propanoylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-propanoylcyclopropane-1-carboxylic acid
PubChem CID68524876
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-propanoylcyclopropane-1-carboxylic acid
SMILESCCC(=O)C1CC1C(=O)O
InChIInChI=1S/C7H10O3/c1-2-6(8)4-3-5(4)7(9)10/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyNPOWZAYIAPSICH-UHFFFAOYSA-N
XLogP0.69
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propanoylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-propanoylcyclopropane-1-carboxylic acid (CID 68524876) is 2-propanoylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-propanoylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-propanoylcyclopropane-1-carboxylic acid is CCC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-propanoylcyclopropane-1-carboxylic acid?
The InChIKey is NPOWZAYIAPSICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-6(8)4-3-5(4)7(9)10/h4-5H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-propanoylcyclopropane-1-carboxylic acid?
2-propanoylcyclopropane-1-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propanoylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 68524876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).