3-(furan-2-yl)prop-2-enoic acid

C7H6O3 — CID 10876

IUPAC3-(furan-2-yl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccco1
InChIInChI=1S/C7H6O3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)
InChIKeyZCJLOOJRNPHKAV-UHFFFAOYSA-N
MW138.12 g/mol
LogP1.38
Rot. Bonds2

About 3-(furan-2-yl)prop-2-enoic acid

3-(furan-2-yl)prop-2-enoic acid (PubChem CID 10876) has the molecular formula C7H6O3 and a molecular weight of 138.12 g/mol. Its IUPAC name is 3-(furan-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(furan-2-yl)prop-2-enoic acid
PubChem CID10876
Molecular FormulaC7H6O3
Molecular Weight138.12 g/mol
Exact Mass138.03
IUPAC Name3-(furan-2-yl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccco1
InChIInChI=1S/C7H6O3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)
InChIKeyZCJLOOJRNPHKAV-UHFFFAOYSA-N
XLogP1.38
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)prop-2-enoic acid?
The IUPAC name of 3-(furan-2-yl)prop-2-enoic acid (CID 10876) is 3-(furan-2-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(furan-2-yl)prop-2-enoic acid?
The canonical SMILES for 3-(furan-2-yl)prop-2-enoic acid is O=C(O)C=Cc1ccco1.
What is the InChIKey of 3-(furan-2-yl)prop-2-enoic acid?
The InChIKey is ZCJLOOJRNPHKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9).
What are the key properties of 3-(furan-2-yl)prop-2-enoic acid?
3-(furan-2-yl)prop-2-enoic acid has a molecular weight of 138.12 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)prop-2-enoic acid is sourced from PubChem (CID 10876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).