1-(2,3-dihydrofuran-4-yl)propan-1-one

C7H10O2 — CID 130579196

IUPAC1-(2,3-dihydrofuran-4-yl)propan-1-one
SMILESCCC(=O)C1=COCC1
InChIInChI=1S/C7H10O2/c1-2-7(8)6-3-4-9-5-6/h5H,2-4H2,1H3
InChIKeyDOOWDSGRXAVUOJ-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds2

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

1-(2,3-dihydrofuran-4-yl)propan-1-one (PubChem CID 130579196) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)propan-1-one
PubChem CID130579196
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name1-(2,3-dihydrofuran-4-yl)propan-1-one
SMILESCCC(=O)C1=COCC1
InChIInChI=1S/C7H10O2/c1-2-7(8)6-3-4-9-5-6/h5H,2-4H2,1H3
InChIKeyDOOWDSGRXAVUOJ-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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)-2,2,3,3,3-pentafluoropropan-1-one
CID 130579754
1-(2,3-Dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one
CID 130579835
1,7-Dimethoxy-3,5-dimethylideneheptan-4-one
CID 54115998
5-Methoxy-3-methylidenepentan-2-one
CID 58937550
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
4-Methylidene-6-propoxyhexan-3-one
CID 90818804
1-(2,3-Dihydrofuran-4-yl)propane-1,2-dione
CID 117713990
6-Methoxy-2-methyl-4-methylidenehex-1-en-3-one
CID 122610039

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-4-yl)propan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)propan-1-one (CID 130579196) is 1-(2,3-dihydrofuran-4-yl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)propan-1-one is CCC(=O)C1=COCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)propan-1-one?
The InChIKey is DOOWDSGRXAVUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-7(8)6-3-4-9-5-6/h5H,2-4H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)propan-1-one?
1-(2,3-dihydrofuran-4-yl)propan-1-one has a molecular weight of 126.15 g/mol, XLogP of 1.27, 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)propan-1-one is sourced from PubChem (CID 130579196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).