1-(4-methyl-2,3-dihydrofuran-3-yl)ethanone

C7H10O2 — CID 14969347

IUPAC1-(4-methyl-2,3-dihydrofuran-3-yl)ethanone
SMILESCC(=O)C1COC=C1C
InChIInChI=1S/C7H10O2/c1-5-3-9-4-7(5)6(2)8/h3,7H,4H2,1-2H3
InChIKeyYIQJYMUPFMXZAJ-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.13
Rot. Bonds1

About 1-(4-methyl-2,3-dihydrofuran-3-yl)ethanone

1-(4-methyl-2,3-dihydrofuran-3-yl)ethanone (PubChem CID 14969347) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 1-(4-methyl-2,3-dihydrofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2,3-dihydrofuran-3-yl)ethanone
PubChem CID14969347
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name1-(4-methyl-2,3-dihydrofuran-3-yl)ethanone
SMILESCC(=O)C1COC=C1C
InChIInChI=1S/C7H10O2/c1-5-3-9-4-7(5)6(2)8/h3,7H,4H2,1-2H3
InChIKeyYIQJYMUPFMXZAJ-UHFFFAOYSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-methyl-2,3-dihydrofuran-3-yl)ethanone 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 1-(4-methyl-2,3-dihydrofuran-3-yl)ethanone?
The IUPAC name of 1-(4-methyl-2,3-dihydrofuran-3-yl)ethanone (CID 14969347) is 1-(4-methyl-2,3-dihydrofuran-3-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-2,3-dihydrofuran-3-yl)ethanone?
The canonical SMILES for 1-(4-methyl-2,3-dihydrofuran-3-yl)ethanone is CC(=O)C1COC=C1C.
What is the InChIKey of 1-(4-methyl-2,3-dihydrofuran-3-yl)ethanone?
The InChIKey is YIQJYMUPFMXZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-3-9-4-7(5)6(2)8/h3,7H,4H2,1-2H3.
What are the key properties of 1-(4-methyl-2,3-dihydrofuran-3-yl)ethanone?
1-(4-methyl-2,3-dihydrofuran-3-yl)ethanone has a molecular weight of 126.15 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2,3-dihydrofuran-3-yl)ethanone is sourced from PubChem (CID 14969347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).