(E)-4-(furan-3-yl)-3-methylbut-2-enal

C9H10O2 — CID 101179042

IUPAC(E)-4-(furan-3-yl)-3-methylbut-2-enal
SMILESC/C(=C\C=O)Cc1ccoc1
InChIInChI=1S/C9H10O2/c1-8(2-4-10)6-9-3-5-11-7-9/h2-5,7H,6H2,1H3/b8-2+
InChIKeyIFKUTPILOSDQAJ-KRXBUXKQSA-N
MW150.18 g/mol
LogP1.97
Rot. Bonds3

About (E)-4-(furan-3-yl)-3-methylbut-2-enal

(E)-4-(furan-3-yl)-3-methylbut-2-enal (PubChem CID 101179042) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (E)-4-(furan-3-yl)-3-methylbut-2-enal.

Molecular Properties

Compound Name(E)-4-(furan-3-yl)-3-methylbut-2-enal
PubChem CID101179042
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(E)-4-(furan-3-yl)-3-methylbut-2-enal
SMILESC/C(=C\C=O)Cc1ccoc1
InChIInChI=1S/C9H10O2/c1-8(2-4-10)6-9-3-5-11-7-9/h2-5,7H,6H2,1H3/b8-2+
InChIKeyIFKUTPILOSDQAJ-KRXBUXKQSA-N
XLogP1.97
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.97
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

(2E)-3-(furan-3-yl)-2-hydroxyiminopropanoic acid
CID 11435173
acetic acid;3-(chloromethyl)furan
CID 174487310
1-(furan-3-yl)-3-(propylamino)propan-2-one
CID 116562918
3-ethylfuran;methanol
CID 174626479
2-(furan-3-yl)-1-(3-methylcyclopentyl)ethanone
CID 83171833
4-amino-1-(furan-3-yl)pentan-2-one
CID 116555995
2-(furan-3-yl)-1-(5-methylfuran-2-yl)ethanone
CID 115795779
ethyl 3-(furan-3-yl)-2-oxopropanoate
CID 54299973
3-[(2Z,4E)-5-iodo-4-methylpenta-2,4-dienyl]furan
CID 11086952
4-(furan-3-yl)-3-methylbutan-2-ol
CID 83182885
3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one
CID 116746851
2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone
CID 115795793

Frequently Asked Questions

What is the IUPAC name of (E)-4-(furan-3-yl)-3-methylbut-2-enal?
The IUPAC name of (E)-4-(furan-3-yl)-3-methylbut-2-enal (CID 101179042) is (E)-4-(furan-3-yl)-3-methylbut-2-enal.
What is the SMILES notation for (E)-4-(furan-3-yl)-3-methylbut-2-enal?
The canonical SMILES for (E)-4-(furan-3-yl)-3-methylbut-2-enal is C/C(=C\C=O)Cc1ccoc1.
What is the InChIKey of (E)-4-(furan-3-yl)-3-methylbut-2-enal?
The InChIKey is IFKUTPILOSDQAJ-KRXBUXKQSA-N. The full InChI is InChI=1S/C9H10O2/c1-8(2-4-10)6-9-3-5-11-7-9/h2-5,7H,6H2,1H3/b8-2+.
What are the key properties of (E)-4-(furan-3-yl)-3-methylbut-2-enal?
(E)-4-(furan-3-yl)-3-methylbut-2-enal has a molecular weight of 150.18 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(furan-3-yl)-3-methylbut-2-enal is sourced from PubChem (CID 101179042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).