2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid

C10H12O3 — CID 63086194

IUPAC2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid
SMILESCC1(Cc2ccco2)CC1C(=O)O
InChIInChI=1S/C10H12O3/c1-10(6-8(10)9(11)12)5-7-3-2-4-13-7/h2-4,8H,5-6H2,1H3,(H,11,12)
InChIKeyAYNPXQPOSBPCEF-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.93
Rot. Bonds3

About 2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid

2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid (PubChem CID 63086194) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid
PubChem CID63086194
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid
SMILESCC1(Cc2ccco2)CC1C(=O)O
InChIInChI=1S/C10H12O3/c1-10(6-8(10)9(11)12)5-7-3-2-4-13-7/h2-4,8H,5-6H2,1H3,(H,11,12)
InChIKeyAYNPXQPOSBPCEF-UHFFFAOYSA-N
XLogP1.93
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid
CID 62388314
3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
CID 105134916
ethyl 3-(furan-2-ylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate
CID 105360230
(1R,2R,4S)-2-(furan-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98066262
3-acetyl-3-(furan-2-ylmethyl)oxolan-2-one
CID 103343694
N-(furan-2-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108517632
[2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 66024942
(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
benzene;2,2-dimethylcyclopropane-1-carboxylic acid
CID 144977859
1-cyclopropyl-2-(furan-2-yl)ethanone
CID 83172331
2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid
CID 112710160
2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid
CID 112710161

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid (CID 63086194) is 2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid is CC1(Cc2ccco2)CC1C(=O)O.
What is the InChIKey of 2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is AYNPXQPOSBPCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-10(6-8(10)9(11)12)5-7-3-2-4-13-7/h2-4,8H,5-6H2,1H3,(H,11,12).
What are the key properties of 2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid?
2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 180.20 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 63086194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).