2-[(5-methylfuran-2-yl)methylidene]butanal

C10H12O2 — CID 79331109

IUPAC2-[(5-methylfuran-2-yl)methylidene]butanal
SMILESCCC(C=O)=Cc1ccc(C)o1
InChIInChI=1S/C10H12O2/c1-3-9(7-11)6-10-5-4-8(2)12-10/h4-7H,3H2,1-2H3
InChIKeyVOMMNMXDHBTFMC-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.58
Rot. Bonds3

About 2-[(5-methylfuran-2-yl)methylidene]butanal

2-[(5-methylfuran-2-yl)methylidene]butanal (PubChem CID 79331109) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-[(5-methylfuran-2-yl)methylidene]butanal.

Molecular Properties

Compound Name2-[(5-methylfuran-2-yl)methylidene]butanal
PubChem CID79331109
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-[(5-methylfuran-2-yl)methylidene]butanal
SMILESCCC(C=O)=Cc1ccc(C)o1
InChIInChI=1S/C10H12O2/c1-3-9(7-11)6-10-5-4-8(2)12-10/h4-7H,3H2,1-2H3
InChIKeyVOMMNMXDHBTFMC-UHFFFAOYSA-N
XLogP2.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.58
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

(Z)-2-methyl-3-(5-methylfuran-2-yl)prop-2-enal
CID 131388064
chloromethane;5-methylfuran-2-carbaldehyde
CID 144843774
3-methyl-2-[(5-methylfuran-2-yl)methylidene]-N-propylbutan-1-amine
CID 79339615
(Z)-3-ethoxycarbonyl-4-(5-methylfuran-2-yl)but-3-enoic acid
CID 67133424
(E)-N-ethyl-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-amine
CID 103093413
5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde
CID 71371005
(2Z)-2-[(5-methyl-2-pyridinyl)methylidene]butanal
CID 81312596
2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]furan
CID 115347684
2,5-dimethylfuran;ethanol
CID 160667580
propyl 2-cyano-3-(5-methylfuran-2-yl)prop-2-enoate
CID 72595600
2-[(4-propan-2-ylphenyl)methylidene]butanal
CID 79014775
2-[(4-methylsulfanylphenyl)methylidene]butanal
CID 79331111

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylfuran-2-yl)methylidene]butanal?
The IUPAC name of 2-[(5-methylfuran-2-yl)methylidene]butanal (CID 79331109) is 2-[(5-methylfuran-2-yl)methylidene]butanal.
What is the SMILES notation for 2-[(5-methylfuran-2-yl)methylidene]butanal?
The canonical SMILES for 2-[(5-methylfuran-2-yl)methylidene]butanal is CCC(C=O)=Cc1ccc(C)o1.
What is the InChIKey of 2-[(5-methylfuran-2-yl)methylidene]butanal?
The InChIKey is VOMMNMXDHBTFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-3-9(7-11)6-10-5-4-8(2)12-10/h4-7H,3H2,1-2H3.
What are the key properties of 2-[(5-methylfuran-2-yl)methylidene]butanal?
2-[(5-methylfuran-2-yl)methylidene]butanal has a molecular weight of 164.20 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylfuran-2-yl)methylidene]butanal is sourced from PubChem (CID 79331109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).