3-(furan-3-yl)-2,2-dimethylcyclopropane-1-carboxylic acid

C10H12O3 — CID 130488380

IUPAC3-(furan-3-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1c1ccoc1
InChIInChI=1S/C10H12O3/c1-10(2)7(8(10)9(11)12)6-3-4-13-5-6/h3-5,7-8H,1-2H3,(H,11,12)
InChIKeyPNSBUAFJVWEHSV-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.10
Rot. Bonds2

About 3-(furan-3-yl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(furan-3-yl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 130488380) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-(furan-3-yl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(furan-3-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID130488380
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name3-(furan-3-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1c1ccoc1
InChIInChI=1S/C10H12O3/c1-10(2)7(8(10)9(11)12)6-3-4-13-5-6/h3-5,7-8H,1-2H3,(H,11,12)
InChIKeyPNSBUAFJVWEHSV-UHFFFAOYSA-N
XLogP2.10
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(furan-3-yl)-2,2-dimethylcyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(furan-3-yl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 130488380) is 3-(furan-3-yl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(furan-3-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(furan-3-yl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1c1ccoc1.
What is the InChIKey of 3-(furan-3-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is PNSBUAFJVWEHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-10(2)7(8(10)9(11)12)6-3-4-13-5-6/h3-5,7-8H,1-2H3,(H,11,12).
What are the key properties of 3-(furan-3-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(furan-3-yl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 180.20 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 130488380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).