5-(5-methylfuran-2-yl)pent-4-enoic acid

C10H12O3 — CID 68523915

IUPAC5-(5-methylfuran-2-yl)pent-4-enoic acid
SMILESCc1ccc(C=CCCC(=O)O)o1
InChIInChI=1S/C10H12O3/c1-8-6-7-9(13-8)4-2-3-5-10(11)12/h2,4,6-7H,3,5H2,1H3,(H,11,12)
InChIKeyIKQJZFNNFGDAIJ-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.47
Rot. Bonds4

About 5-(5-methylfuran-2-yl)pent-4-enoic acid

5-(5-methylfuran-2-yl)pent-4-enoic acid (PubChem CID 68523915) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)pent-4-enoic acid.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)pent-4-enoic acid
PubChem CID68523915
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name5-(5-methylfuran-2-yl)pent-4-enoic acid
SMILESCc1ccc(C=CCCC(=O)O)o1
InChIInChI=1S/C10H12O3/c1-8-6-7-9(13-8)4-2-3-5-10(11)12/h2,4,6-7H,3,5H2,1H3,(H,11,12)
InChIKeyIKQJZFNNFGDAIJ-UHFFFAOYSA-N
XLogP2.47
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)pent-4-enoic acid?
The IUPAC name of 5-(5-methylfuran-2-yl)pent-4-enoic acid (CID 68523915) is 5-(5-methylfuran-2-yl)pent-4-enoic acid.
What is the SMILES notation for 5-(5-methylfuran-2-yl)pent-4-enoic acid?
The canonical SMILES for 5-(5-methylfuran-2-yl)pent-4-enoic acid is Cc1ccc(C=CCCC(=O)O)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)pent-4-enoic acid?
The InChIKey is IKQJZFNNFGDAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-8-6-7-9(13-8)4-2-3-5-10(11)12/h2,4,6-7H,3,5H2,1H3,(H,11,12).
What are the key properties of 5-(5-methylfuran-2-yl)pent-4-enoic acid?
5-(5-methylfuran-2-yl)pent-4-enoic acid has a molecular weight of 180.20 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)pent-4-enoic acid is sourced from PubChem (CID 68523915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).