3-(furan-2-yl)prop-2-enal

C7H6O2 — CID 12174

IUPAC3-(furan-2-yl)prop-2-enal
SMILESO=CC=Cc1ccco1
InChIInChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6H
InChIKeyVZIRCHXYMBFNFD-UHFFFAOYSA-N
MW122.12 g/mol
LogP1.49
Rot. Bonds2

About 3-(furan-2-yl)prop-2-enal

3-(furan-2-yl)prop-2-enal (PubChem CID 12174) has the molecular formula C7H6O2 and a molecular weight of 122.12 g/mol. Its IUPAC name is 3-(furan-2-yl)prop-2-enal.

Molecular Properties

Compound Name3-(furan-2-yl)prop-2-enal
PubChem CID12174
Molecular FormulaC7H6O2
Molecular Weight122.12 g/mol
Exact Mass122.04
IUPAC Name3-(furan-2-yl)prop-2-enal
SMILESO=CC=Cc1ccco1
InChIInChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6H
InChIKeyVZIRCHXYMBFNFD-UHFFFAOYSA-N
XLogP1.49
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-enal?
The IUPAC name of 3-(furan-2-yl)prop-2-enal (CID 12174) is 3-(furan-2-yl)prop-2-enal.
What is the SMILES notation for 3-(furan-2-yl)prop-2-enal?
The canonical SMILES for 3-(furan-2-yl)prop-2-enal is O=CC=Cc1ccco1.
What is the InChIKey of 3-(furan-2-yl)prop-2-enal?
The InChIKey is VZIRCHXYMBFNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6H.
What are the key properties of 3-(furan-2-yl)prop-2-enal?
3-(furan-2-yl)prop-2-enal has a molecular weight of 122.12 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)prop-2-enal is sourced from PubChem (CID 12174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).