1-(2-ethenyl-2,5-dimethyl-3H-furan-4-yl)ethanone

C10H14O2 — CID 12717496

IUPAC1-(2-ethenyl-2,5-dimethyl-3H-furan-4-yl)ethanone
SMILESC=CC1(C)CC(C(C)=O)=C(C)O1
InChIInChI=1S/C10H14O2/c1-5-10(4)6-9(7(2)11)8(3)12-10/h5H,1,6H2,2-4H3
InChIKeyFTZMYXYLNRBFKK-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.21
Rot. Bonds2

About 1-(2-ethenyl-2,5-dimethyl-3H-furan-4-yl)ethanone

1-(2-ethenyl-2,5-dimethyl-3H-furan-4-yl)ethanone (PubChem CID 12717496) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(2-ethenyl-2,5-dimethyl-3H-furan-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethenyl-2,5-dimethyl-3H-furan-4-yl)ethanone
PubChem CID12717496
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(2-ethenyl-2,5-dimethyl-3H-furan-4-yl)ethanone
SMILESC=CC1(C)CC(C(C)=O)=C(C)O1
InChIInChI=1S/C10H14O2/c1-5-10(4)6-9(7(2)11)8(3)12-10/h5H,1,6H2,2-4H3
InChIKeyFTZMYXYLNRBFKK-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-Ethenyl-2-methyl-4,5-dihydrofuran-3-yl)ethan-1-one
CID 12579774
1-(2,2,5-trimethyl-3H-furan-4-yl)ethanone
CID 10012120
2-Methyl-3-acetyl-5-vinyl-5-(4-methyl-3-pentenyl)-4,5-dihydrofuran
CID 12717498
2-Ethenyl-2-methyl-3,5,6,7-tetrahydro-1-benzofuran-4(2H)-one
CID 13720821
2-Methyl-1-oxaspiro[4.5]deca-2,6-dien-8-one
CID 141530491
Ethanone, 1-[4,5-dihydro-2-methyl-5-(1-propenyl)-3-furanyl]-, [R-(E)]-(9CI)
CID 10749574
CID 12717491
CID 12717491
1-[5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone
CID 12717492
1-[(2S)-5-methyl-2-[(Z)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone
CID 45086383

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenyl-2,5-dimethyl-3H-furan-4-yl)ethanone?
The IUPAC name of 1-(2-ethenyl-2,5-dimethyl-3H-furan-4-yl)ethanone (CID 12717496) is 1-(2-ethenyl-2,5-dimethyl-3H-furan-4-yl)ethanone.
What is the SMILES notation for 1-(2-ethenyl-2,5-dimethyl-3H-furan-4-yl)ethanone?
The canonical SMILES for 1-(2-ethenyl-2,5-dimethyl-3H-furan-4-yl)ethanone is C=CC1(C)CC(C(C)=O)=C(C)O1.
What is the InChIKey of 1-(2-ethenyl-2,5-dimethyl-3H-furan-4-yl)ethanone?
The InChIKey is FTZMYXYLNRBFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-10(4)6-9(7(2)11)8(3)12-10/h5H,1,6H2,2-4H3.
What are the key properties of 1-(2-ethenyl-2,5-dimethyl-3H-furan-4-yl)ethanone?
1-(2-ethenyl-2,5-dimethyl-3H-furan-4-yl)ethanone has a molecular weight of 166.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-2,5-dimethyl-3H-furan-4-yl)ethanone is sourced from PubChem (CID 12717496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).