5-(cyclopropylmethyl)furan-2-carboxylic acid

C9H10O3 — CID 83815892

IUPAC5-(cyclopropylmethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CC2CC2)o1
InChIInChI=1S/C9H10O3/c10-9(11)8-4-3-7(12-8)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,10,11)
InChIKeyBFVYJZOLUIYSFH-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.93
Rot. Bonds3

About 5-(cyclopropylmethyl)furan-2-carboxylic acid

5-(cyclopropylmethyl)furan-2-carboxylic acid (PubChem CID 83815892) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylmethyl)furan-2-carboxylic acid
PubChem CID83815892
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name5-(cyclopropylmethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CC2CC2)o1
InChIInChI=1S/C9H10O3/c10-9(11)8-4-3-7(12-8)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,10,11)
InChIKeyBFVYJZOLUIYSFH-UHFFFAOYSA-N
XLogP1.93
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(5-carboxyfuran-2-yl)iodanium
CID 139729150
5-(fluoromethyl)furan-2-carboxylic acid
CID 18507676
5-[[(2-hydroxycyclohexyl)amino]methyl]furan-2-carboxylic acid
CID 63317622
5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid
CID 42233591
5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61434674
5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid
CID 134714681
5-[(2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
CID 171134030
5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 115312700
5-[(5-carboxyfuran-2-yl)methylsulfinylmethyl]furan-2-carboxylic acid
CID 123122768
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid
CID 55174998
5-[[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]methyl]furan-2-carboxylic acid
CID 113406745

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(cyclopropylmethyl)furan-2-carboxylic acid (CID 83815892) is 5-(cyclopropylmethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylmethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(cyclopropylmethyl)furan-2-carboxylic acid is O=C(O)c1ccc(CC2CC2)o1.
What is the InChIKey of 5-(cyclopropylmethyl)furan-2-carboxylic acid?
The InChIKey is BFVYJZOLUIYSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-9(11)8-4-3-7(12-8)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,10,11).
What are the key properties of 5-(cyclopropylmethyl)furan-2-carboxylic acid?
5-(cyclopropylmethyl)furan-2-carboxylic acid has a molecular weight of 166.18 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 5-(cyclopropylmethyl)furan-2-carboxylic acid is sourced from PubChem (CID 83815892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).