2-(5-propylfuran-2-yl)propanoate

C10H13O3- — CID 22411296

IUPAC2-(5-propylfuran-2-yl)propanoate
SMILESCCCc1ccc(C(C)C(=O)[O-])o1
InChIInChI=1S/C10H14O3/c1-3-4-8-5-6-9(13-8)7(2)10(11)12/h5-7H,3-4H2,1-2H3,(H,11,12)/p-1
InChIKeyCXQBZNOMMYLRTD-UHFFFAOYSA-M
MW181.21 g/mol
LogP1.09
Rot. Bonds4

About 2-(5-propylfuran-2-yl)propanoate

2-(5-propylfuran-2-yl)propanoate (PubChem CID 22411296) has the molecular formula C10H13O3- and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-(5-propylfuran-2-yl)propanoate.

Molecular Properties

Compound Name2-(5-propylfuran-2-yl)propanoate
PubChem CID22411296
Molecular FormulaC10H13O3-
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-(5-propylfuran-2-yl)propanoate
SMILESCCCc1ccc(C(C)C(=O)[O-])o1
InChIInChI=1S/C10H14O3/c1-3-4-8-5-6-9(13-8)7(2)10(11)12/h5-7H,3-4H2,1-2H3,(H,11,12)/p-1
InChIKeyCXQBZNOMMYLRTD-UHFFFAOYSA-M
XLogP1.09
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propylfuran-2-yl)propanoate?
The IUPAC name of 2-(5-propylfuran-2-yl)propanoate (CID 22411296) is 2-(5-propylfuran-2-yl)propanoate.
What is the SMILES notation for 2-(5-propylfuran-2-yl)propanoate?
The canonical SMILES for 2-(5-propylfuran-2-yl)propanoate is CCCc1ccc(C(C)C(=O)[O-])o1.
What is the InChIKey of 2-(5-propylfuran-2-yl)propanoate?
The InChIKey is CXQBZNOMMYLRTD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14O3/c1-3-4-8-5-6-9(13-8)7(2)10(11)12/h5-7H,3-4H2,1-2H3,(H,11,12)/p-1.
What are the key properties of 2-(5-propylfuran-2-yl)propanoate?
2-(5-propylfuran-2-yl)propanoate has a molecular weight of 181.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propylfuran-2-yl)propanoate is sourced from PubChem (CID 22411296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).