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

C6H8O2 — CID 87195639

IUPAC2-methyl-3H-furan-2-carbaldehyde
SMILESCC1(C=O)CC=CO1
InChIInChI=1S/C6H8O2/c1-6(5-7)3-2-4-8-6/h2,4-5H,3H2,1H3
InChIKeyWVHJBVPYIIBODU-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.88
Rot. Bonds1

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

2-methyl-3H-furan-2-carbaldehyde (PubChem CID 87195639) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-methyl-3H-furan-2-carbaldehyde.

Molecular Properties

Compound Name2-methyl-3H-furan-2-carbaldehyde
PubChem CID87195639
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name2-methyl-3H-furan-2-carbaldehyde
SMILESCC1(C=O)CC=CO1
InChIInChI=1S/C6H8O2/c1-6(5-7)3-2-4-8-6/h2,4-5H,3H2,1H3
InChIKeyWVHJBVPYIIBODU-UHFFFAOYSA-N
XLogP0.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-3H-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-furan-2-carbaldehyde?
The IUPAC name of 2-methyl-3H-furan-2-carbaldehyde (CID 87195639) is 2-methyl-3H-furan-2-carbaldehyde.
What is the SMILES notation for 2-methyl-3H-furan-2-carbaldehyde?
The canonical SMILES for 2-methyl-3H-furan-2-carbaldehyde is CC1(C=O)CC=CO1.
What is the InChIKey of 2-methyl-3H-furan-2-carbaldehyde?
The InChIKey is WVHJBVPYIIBODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-6(5-7)3-2-4-8-6/h2,4-5H,3H2,1H3.
What are the key properties of 2-methyl-3H-furan-2-carbaldehyde?
2-methyl-3H-furan-2-carbaldehyde has a molecular weight of 112.13 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-furan-2-carbaldehyde is sourced from PubChem (CID 87195639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).