(E)-3-(5-methylfuran-2-yl)prop-2-enal

C8H8O2 — CID 11434978

IUPAC(E)-3-(5-methylfuran-2-yl)prop-2-enal
SMILESCc1ccc(/C=C/C=O)o1
InChIInChI=1S/C8H8O2/c1-7-4-5-8(10-7)3-2-6-9/h2-6H,1H3/b3-2+
InChIKeyXYYLGSWUPMPWLD-NSCUHMNNSA-N
MW136.15 g/mol
LogP1.80
Rot. Bonds2

About (E)-3-(5-methylfuran-2-yl)prop-2-enal

(E)-3-(5-methylfuran-2-yl)prop-2-enal (PubChem CID 11434978) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)prop-2-enal
PubChem CID11434978
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name(E)-3-(5-methylfuran-2-yl)prop-2-enal
SMILESCc1ccc(/C=C/C=O)o1
InChIInChI=1S/C8H8O2/c1-7-4-5-8(10-7)3-2-6-9/h2-6H,1H3/b3-2+
InChIKeyXYYLGSWUPMPWLD-NSCUHMNNSA-N
XLogP1.80
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.80
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 (E)-3-(5-methylfuran-2-yl)prop-2-enal?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)prop-2-enal (CID 11434978) is (E)-3-(5-methylfuran-2-yl)prop-2-enal.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)prop-2-enal?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)prop-2-enal is Cc1ccc(/C=C/C=O)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)prop-2-enal?
The InChIKey is XYYLGSWUPMPWLD-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H8O2/c1-7-4-5-8(10-7)3-2-6-9/h2-6H,1H3/b3-2+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)prop-2-enal?
(E)-3-(5-methylfuran-2-yl)prop-2-enal has a molecular weight of 136.15 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)prop-2-enal is sourced from PubChem (CID 11434978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).