2-(furan-2-ylmethyl)prop-2-enal

C8H8O2 — CID 117266840

IUPAC2-(furan-2-ylmethyl)prop-2-enal
SMILESC=C(C=O)Cc1ccco1
InChIInChI=1S/C8H8O2/c1-7(6-9)5-8-3-2-4-10-8/h2-4,6H,1,5H2
InChIKeyYZEISMABRJFRLW-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.58
Rot. Bonds3

About 2-(furan-2-ylmethyl)prop-2-enal

2-(furan-2-ylmethyl)prop-2-enal (PubChem CID 117266840) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)prop-2-enal.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)prop-2-enal
PubChem CID117266840
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name2-(furan-2-ylmethyl)prop-2-enal
SMILESC=C(C=O)Cc1ccco1
InChIInChI=1S/C8H8O2/c1-7(6-9)5-8-3-2-4-10-8/h2-4,6H,1,5H2
InChIKeyYZEISMABRJFRLW-UHFFFAOYSA-N
XLogP1.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.58
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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Related Compounds

2-(furan-2-ylmethyl)prop-2-en-1-amine
CID 117266490
1-cyclopropyl-2-(furan-2-yl)ethanone
CID 83172331
(Z)-5-(furan-2-yl)pent-3-enal
CID 117268161
2-but-3-enylfuran
CID 11977163
4-(furan-2-yl)-2-phenylbut-2-enal
CID 174960857
acetaldehyde;2-(chloromethyl)furan
CID 174376101
3-amino-1-(furan-2-yl)-3-methylbutan-2-one
CID 82413823
1-(furan-2-yl)-3-(methylamino)propan-2-one
CID 83635399
5-(furan-2-yl)-2,4-dioxopentanoic acid
CID 44591401
3-ethyl-1-(furan-2-yl)pentan-2-one
CID 115795583
N-ethyl-2-(furan-2-yl)acetamide
CID 110484557
4-[2-(furan-2-ylmethyl)prop-2-enoyloxy]-2-methylidenebutanoic acid
CID 70348245

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)prop-2-enal?
The IUPAC name of 2-(furan-2-ylmethyl)prop-2-enal (CID 117266840) is 2-(furan-2-ylmethyl)prop-2-enal.
What is the SMILES notation for 2-(furan-2-ylmethyl)prop-2-enal?
The canonical SMILES for 2-(furan-2-ylmethyl)prop-2-enal is C=C(C=O)Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)prop-2-enal?
The InChIKey is YZEISMABRJFRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-7(6-9)5-8-3-2-4-10-8/h2-4,6H,1,5H2.
What are the key properties of 2-(furan-2-ylmethyl)prop-2-enal?
2-(furan-2-ylmethyl)prop-2-enal has a molecular weight of 136.15 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)prop-2-enal is sourced from PubChem (CID 117266840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).