(E)-3-(furan-3-yl)-2-methylprop-2-enal

C8H8O2 — CID 101407770

IUPAC(E)-3-(furan-3-yl)-2-methylprop-2-enal
SMILESC/C(C=O)=C\c1ccoc1
InChIInChI=1S/C8H8O2/c1-7(5-9)4-8-2-3-10-6-8/h2-6H,1H3/b7-4+
InChIKeyWHDVHEXMVPUJNI-QPJJXVBHSA-N
MW136.15 g/mol
LogP1.88
Rot. Bonds2

About (E)-3-(furan-3-yl)-2-methylprop-2-enal

(E)-3-(furan-3-yl)-2-methylprop-2-enal (PubChem CID 101407770) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is (E)-3-(furan-3-yl)-2-methylprop-2-enal.

Molecular Properties

Compound Name(E)-3-(furan-3-yl)-2-methylprop-2-enal
PubChem CID101407770
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name(E)-3-(furan-3-yl)-2-methylprop-2-enal
SMILESC/C(C=O)=C\c1ccoc1
InChIInChI=1S/C8H8O2/c1-7(5-9)4-8-2-3-10-6-8/h2-6H,1H3/b7-4+
InChIKeyWHDVHEXMVPUJNI-QPJJXVBHSA-N
XLogP1.88
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 ≤ 51.88
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-(furan-3-yl)-2-methylprop-2-enal?
The IUPAC name of (E)-3-(furan-3-yl)-2-methylprop-2-enal (CID 101407770) is (E)-3-(furan-3-yl)-2-methylprop-2-enal.
What is the SMILES notation for (E)-3-(furan-3-yl)-2-methylprop-2-enal?
The canonical SMILES for (E)-3-(furan-3-yl)-2-methylprop-2-enal is C/C(C=O)=C\c1ccoc1.
What is the InChIKey of (E)-3-(furan-3-yl)-2-methylprop-2-enal?
The InChIKey is WHDVHEXMVPUJNI-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H8O2/c1-7(5-9)4-8-2-3-10-6-8/h2-6H,1H3/b7-4+.
What are the key properties of (E)-3-(furan-3-yl)-2-methylprop-2-enal?
(E)-3-(furan-3-yl)-2-methylprop-2-enal has a molecular weight of 136.15 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-3-yl)-2-methylprop-2-enal is sourced from PubChem (CID 101407770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).