3-ethenyl-3-methyl-2H-furan-2-carbaldehyde

C8H10O2 — CID 174758250

IUPAC3-ethenyl-3-methyl-2H-furan-2-carbaldehyde
SMILESC=CC1(C)C=COC1C=O
InChIInChI=1S/C8H10O2/c1-3-8(2)4-5-10-7(8)6-9/h3-7H,1H2,2H3
InChIKeyHYQLCSSPFMZGAU-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.29
Rot. Bonds2

About 3-ethenyl-3-methyl-2H-furan-2-carbaldehyde

3-ethenyl-3-methyl-2H-furan-2-carbaldehyde (PubChem CID 174758250) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-ethenyl-3-methyl-2H-furan-2-carbaldehyde.

Molecular Properties

Compound Name3-ethenyl-3-methyl-2H-furan-2-carbaldehyde
PubChem CID174758250
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name3-ethenyl-3-methyl-2H-furan-2-carbaldehyde
SMILESC=CC1(C)C=COC1C=O
InChIInChI=1S/C8H10O2/c1-3-8(2)4-5-10-7(8)6-9/h3-7H,1H2,2H3
InChIKeyHYQLCSSPFMZGAU-UHFFFAOYSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-ethenyl-3-methyl-2H-furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 87195639
CID 87195639
CID 124155959
CID 124155959
CID 144798087
CID 144798087
CID 147059725
CID 147059725
CID 175757238
CID 175757238

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-methyl-2H-furan-2-carbaldehyde?
The IUPAC name of 3-ethenyl-3-methyl-2H-furan-2-carbaldehyde (CID 174758250) is 3-ethenyl-3-methyl-2H-furan-2-carbaldehyde.
What is the SMILES notation for 3-ethenyl-3-methyl-2H-furan-2-carbaldehyde?
The canonical SMILES for 3-ethenyl-3-methyl-2H-furan-2-carbaldehyde is C=CC1(C)C=COC1C=O.
What is the InChIKey of 3-ethenyl-3-methyl-2H-furan-2-carbaldehyde?
The InChIKey is HYQLCSSPFMZGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-3-8(2)4-5-10-7(8)6-9/h3-7H,1H2,2H3.
What are the key properties of 3-ethenyl-3-methyl-2H-furan-2-carbaldehyde?
3-ethenyl-3-methyl-2H-furan-2-carbaldehyde has a molecular weight of 138.17 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-methyl-2H-furan-2-carbaldehyde is sourced from PubChem (CID 174758250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).