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

C9H10O3 — CID 62388314

IUPAC2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid
SMILESCC1(c2ccco2)CC1C(=O)O
InChIInChI=1S/C9H10O3/c1-9(5-6(9)8(10)11)7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11)
InChIKeySZPHEEUPNMFKLT-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.64
Rot. Bonds2

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

2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid (PubChem CID 62388314) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid
PubChem CID62388314
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid
SMILESCC1(c2ccco2)CC1C(=O)O
InChIInChI=1S/C9H10O3/c1-9(5-6(9)8(10)11)7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11)
InChIKeySZPHEEUPNMFKLT-UHFFFAOYSA-N
XLogP1.64
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid
CID 112710161
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid
CID 63086194
4-(furan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 114487038
2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 130900676
trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid
CID 94252878
2-methyl-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 62389548
benzene;2,2-dimethylcyclopropane-1-carboxylic acid
CID 144977859
2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid
CID 117169364
3-amino-1-(furan-2-yl)cyclobutan-1-ol
CID 80561314
cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 94256560

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid (CID 62388314) is 2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid is CC1(c2ccco2)CC1C(=O)O.
What is the InChIKey of 2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is SZPHEEUPNMFKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-9(5-6(9)8(10)11)7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11).
What are the key properties of 2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid?
2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 62388314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).