3-(4-methylfuran-2-yl)but-2-enal

C9H10O2 — CID 176869828

IUPAC3-(4-methylfuran-2-yl)but-2-enal
SMILESCC(=CC=O)c1cc(C)co1
InChIInChI=1S/C9H10O2/c1-7-5-9(11-6-7)8(2)3-4-10/h3-6H,1-2H3
InChIKeyOHPPJOGEUYWBEX-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.19
Rot. Bonds2

About 3-(4-methylfuran-2-yl)but-2-enal

3-(4-methylfuran-2-yl)but-2-enal (PubChem CID 176869828) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-(4-methylfuran-2-yl)but-2-enal.

Molecular Properties

Compound Name3-(4-methylfuran-2-yl)but-2-enal
PubChem CID176869828
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3-(4-methylfuran-2-yl)but-2-enal
SMILESCC(=CC=O)c1cc(C)co1
InChIInChI=1S/C9H10O2/c1-7-5-9(11-6-7)8(2)3-4-10/h3-6H,1-2H3
InChIKeyOHPPJOGEUYWBEX-UHFFFAOYSA-N
XLogP2.19
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.19
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-(4-methylfuran-2-yl)but-2-enal?
The IUPAC name of 3-(4-methylfuran-2-yl)but-2-enal (CID 176869828) is 3-(4-methylfuran-2-yl)but-2-enal.
What is the SMILES notation for 3-(4-methylfuran-2-yl)but-2-enal?
The canonical SMILES for 3-(4-methylfuran-2-yl)but-2-enal is CC(=CC=O)c1cc(C)co1.
What is the InChIKey of 3-(4-methylfuran-2-yl)but-2-enal?
The InChIKey is OHPPJOGEUYWBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-7-5-9(11-6-7)8(2)3-4-10/h3-6H,1-2H3.
What are the key properties of 3-(4-methylfuran-2-yl)but-2-enal?
3-(4-methylfuran-2-yl)but-2-enal has a molecular weight of 150.18 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylfuran-2-yl)but-2-enal is sourced from PubChem (CID 176869828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).