1-(2,3-dihydrofuran-4-yl)-2-methylprop-2-en-1-one

C8H10O2 — CID 130579356

IUPAC1-(2,3-dihydrofuran-4-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)C1=COCC1
InChIInChI=1S/C8H10O2/c1-6(2)8(9)7-3-4-10-5-7/h5H,1,3-4H2,2H3
InChIKeyXIXURWBWIJWUAD-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.44
Rot. Bonds2

About 1-(2,3-dihydrofuran-4-yl)-2-methylprop-2-en-1-one

1-(2,3-dihydrofuran-4-yl)-2-methylprop-2-en-1-one (PubChem CID 130579356) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-4-yl)-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)-2-methylprop-2-en-1-one
PubChem CID130579356
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1-(2,3-dihydrofuran-4-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)C1=COCC1
InChIInChI=1S/C8H10O2/c1-6(2)8(9)7-3-4-10-5-7/h5H,1,3-4H2,2H3
InChIKeyXIXURWBWIJWUAD-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(2,3-dihydrofuran-4-yl)-2-methylprop-2-en-1-one 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

1-(4,5-Dihydrofuran-3-yl)ethan-1-one
CID 17798943
1-(2,3-Dihydrofuran-4-yl)-3,3,3-trifluoropropan-1-one
CID 130579209
1-(2,3-Dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one
CID 130579835
2,4-Diethyl-furan-3-one
CID 24972499
1,7-Dimethoxy-3,5-dimethylideneheptan-4-one
CID 54115998
4-Methoxy-6-methylidenecyclohex-3-en-1-one
CID 57274811
2-Methyl-6-propan-2-yloxyhex-1-en-3-one
CID 58298905
4-Propylfuran-3-one
CID 59527642
6-Ethenoxy-2-methylhex-1-en-3-one
CID 59637756
6-Methoxy-2-methylhex-1-en-3-one
CID 79191134
2-Methyl-6-(5-methyl-4-oxohex-5-enoxy)hex-1-en-3-one
CID 88591198
CID 88929410
CID 88929410

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-methylprop-2-en-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-methylprop-2-en-1-one (CID 130579356) is 1-(2,3-dihydrofuran-4-yl)-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)-2-methylprop-2-en-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)-2-methylprop-2-en-1-one is C=C(C)C(=O)C1=COCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)-2-methylprop-2-en-1-one?
The InChIKey is XIXURWBWIJWUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-6(2)8(9)7-3-4-10-5-7/h5H,1,3-4H2,2H3.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)-2-methylprop-2-en-1-one?
1-(2,3-dihydrofuran-4-yl)-2-methylprop-2-en-1-one has a molecular weight of 138.17 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-4-yl)-2-methylprop-2-en-1-one is sourced from PubChem (CID 130579356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).