furan-2-yl prop-2-enoate

C7H6O3 — CID 18913838

IUPACfuran-2-yl prop-2-enoate
SMILESC=CC(=O)Oc1ccco1
InChIInChI=1S/C7H6O3/c1-2-6(8)10-7-4-3-5-9-7/h2-5H,1H2
InChIKeyZIFBQDDDTRMSDJ-UHFFFAOYSA-N
MW138.12 g/mol
LogP1.37
Rot. Bonds2

About furan-2-yl prop-2-enoate

furan-2-yl prop-2-enoate (PubChem CID 18913838) has the molecular formula C7H6O3 and a molecular weight of 138.12 g/mol. Its IUPAC name is furan-2-yl prop-2-enoate.

Molecular Properties

Compound Namefuran-2-yl prop-2-enoate
PubChem CID18913838
Molecular FormulaC7H6O3
Molecular Weight138.12 g/mol
Exact Mass138.03
IUPAC Namefuran-2-yl prop-2-enoate
SMILESC=CC(=O)Oc1ccco1
InChIInChI=1S/C7H6O3/c1-2-6(8)10-7-4-3-5-9-7/h2-5H,1H2
InChIKeyZIFBQDDDTRMSDJ-UHFFFAOYSA-N
XLogP1.37
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 furan-2-yl prop-2-enoate?
The IUPAC name of furan-2-yl prop-2-enoate (CID 18913838) is furan-2-yl prop-2-enoate.
What is the SMILES notation for furan-2-yl prop-2-enoate?
The canonical SMILES for furan-2-yl prop-2-enoate is C=CC(=O)Oc1ccco1.
What is the InChIKey of furan-2-yl prop-2-enoate?
The InChIKey is ZIFBQDDDTRMSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3/c1-2-6(8)10-7-4-3-5-9-7/h2-5H,1H2.
What are the key properties of furan-2-yl prop-2-enoate?
furan-2-yl prop-2-enoate has a molecular weight of 138.12 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl prop-2-enoate is sourced from PubChem (CID 18913838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).