1-propanoylcyclopropane-1-carboxylic acid

C7H10O3 — CID 89112237

IUPAC1-propanoylcyclopropane-1-carboxylic acid
SMILESCCC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C7H10O3/c1-2-5(8)7(3-4-7)6(9)10/h2-4H2,1H3,(H,9,10)
InChIKeyHDCZSBZRGCNQBI-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.83
Rot. Bonds3

About 1-propanoylcyclopropane-1-carboxylic acid

1-propanoylcyclopropane-1-carboxylic acid (PubChem CID 89112237) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 1-propanoylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-propanoylcyclopropane-1-carboxylic acid
PubChem CID89112237
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name1-propanoylcyclopropane-1-carboxylic acid
SMILESCCC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C7H10O3/c1-2-5(8)7(3-4-7)6(9)10/h2-4H2,1H3,(H,9,10)
InChIKeyHDCZSBZRGCNQBI-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(1-propanoylcyclopropyl)propan-1-one
CID 5243904
1-(1-tert-butylcyclopropyl)propan-1-one
CID 158981534
1-(2-methoxyacetyl)cyclobutane-1-carboxylic acid
CID 121475929
1-(4-acetyloxan-4-yl)propan-1-one
CID 58816646
1-[1-(1-carboxycyclohexyl)-2-ethylbut-1-enyl]cyclohexane-1-carboxylic acid
CID 57212056
1-[ethyl(2-methylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 79470788
cyclobutane-1,1-dicarboxylic acid;ethoxyethane
CID 174756320
1-[butan-2-yl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095052
1-[butyl(ethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62097468
4,4-bis(hydroxymethyl)cyclohexane-1,1-dicarboxylic acid;cyclohexane
CID 161164365
cyclohexane;cyclohexane-1,1-dicarboxylic acid;methanol
CID 67028840
1-(3-hydroxypyrrolidin-3-yl)propan-1-one
CID 89082385

Frequently Asked Questions

What is the IUPAC name of 1-propanoylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-propanoylcyclopropane-1-carboxylic acid (CID 89112237) is 1-propanoylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-propanoylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-propanoylcyclopropane-1-carboxylic acid is CCC(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-propanoylcyclopropane-1-carboxylic acid?
The InChIKey is HDCZSBZRGCNQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-5(8)7(3-4-7)6(9)10/h2-4H2,1H3,(H,9,10).
What are the key properties of 1-propanoylcyclopropane-1-carboxylic acid?
1-propanoylcyclopropane-1-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 89112237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).