2-(furan-3-yl)cyclopropane-1-carboxylic acid

C8H8O3 — CID 63208658

IUPAC2-(furan-3-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccoc1
InChIInChI=1S/C8H8O3/c9-8(10)7-3-6(7)5-1-2-11-4-5/h1-2,4,6-7H,3H2,(H,9,10)
InChIKeyAOPSVRGFHUKXTK-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.47
Rot. Bonds2

About 2-(furan-3-yl)cyclopropane-1-carboxylic acid

2-(furan-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 63208658) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-(furan-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(furan-3-yl)cyclopropane-1-carboxylic acid
PubChem CID63208658
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name2-(furan-3-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccoc1
InChIInChI=1S/C8H8O3/c9-8(10)7-3-6(7)5-1-2-11-4-5/h1-2,4,6-7H,3H2,(H,9,10)
InChIKeyAOPSVRGFHUKXTK-UHFFFAOYSA-N
XLogP1.47
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(furan-3-yl)cyclopropane-1-carboxylic acid (CID 63208658) is 2-(furan-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(furan-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(furan-3-yl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1ccoc1.
What is the InChIKey of 2-(furan-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is AOPSVRGFHUKXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c9-8(10)7-3-6(7)5-1-2-11-4-5/h1-2,4,6-7H,3H2,(H,9,10).
What are the key properties of 2-(furan-3-yl)cyclopropane-1-carboxylic acid?
2-(furan-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 63208658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).