1-(2-ethenyl-5-methyl-2,3-dihydrofuran-4-yl)ethanone

C9H12O2 — CID 12579774

IUPAC1-(2-ethenyl-5-methyl-2,3-dihydrofuran-4-yl)ethanone
SMILESC=CC1CC(C(C)=O)=C(C)O1
InChIInChI=1S/C9H12O2/c1-4-8-5-9(6(2)10)7(3)11-8/h4,8H,1,5H2,2-3H3
InChIKeyRLPODDUYUDTWCE-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.82
Rot. Bonds2

About 1-(2-ethenyl-5-methyl-2,3-dihydrofuran-4-yl)ethanone

1-(2-ethenyl-5-methyl-2,3-dihydrofuran-4-yl)ethanone (PubChem CID 12579774) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-(2-ethenyl-5-methyl-2,3-dihydrofuran-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethenyl-5-methyl-2,3-dihydrofuran-4-yl)ethanone
PubChem CID12579774
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-(2-ethenyl-5-methyl-2,3-dihydrofuran-4-yl)ethanone
SMILESC=CC1CC(C(C)=O)=C(C)O1
InChIInChI=1S/C9H12O2/c1-4-8-5-9(6(2)10)7(3)11-8/h4,8H,1,5H2,2-3H3
InChIKeyRLPODDUYUDTWCE-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-ethenyl-5-methyl-2,3-dihydrofuran-4-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-(2-ethenyl-5-methyl-2,3-dihydrofuran-4-yl)ethanone?
The IUPAC name of 1-(2-ethenyl-5-methyl-2,3-dihydrofuran-4-yl)ethanone (CID 12579774) is 1-(2-ethenyl-5-methyl-2,3-dihydrofuran-4-yl)ethanone.
What is the SMILES notation for 1-(2-ethenyl-5-methyl-2,3-dihydrofuran-4-yl)ethanone?
The canonical SMILES for 1-(2-ethenyl-5-methyl-2,3-dihydrofuran-4-yl)ethanone is C=CC1CC(C(C)=O)=C(C)O1.
What is the InChIKey of 1-(2-ethenyl-5-methyl-2,3-dihydrofuran-4-yl)ethanone?
The InChIKey is RLPODDUYUDTWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-8-5-9(6(2)10)7(3)11-8/h4,8H,1,5H2,2-3H3.
What are the key properties of 1-(2-ethenyl-5-methyl-2,3-dihydrofuran-4-yl)ethanone?
1-(2-ethenyl-5-methyl-2,3-dihydrofuran-4-yl)ethanone has a molecular weight of 152.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-5-methyl-2,3-dihydrofuran-4-yl)ethanone is sourced from PubChem (CID 12579774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).