1-[(2R)-2,5-dihydrofuran-2-yl]propan-2-one

C7H10O2 — CID 14352522

IUPAC1-[(2R)-2,5-dihydrofuran-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1C=CCO1
InChIInChI=1S/C7H10O2/c1-6(8)5-7-3-2-4-9-7/h2-3,7H,4-5H2,1H3/t7-/m0/s1
InChIKeyAEJCBANCTMGQHU-ZETCQYMHSA-N
MW126.15 g/mol
LogP0.92
Rot. Bonds2

About 1-[(2R)-2,5-dihydrofuran-2-yl]propan-2-one

1-[(2R)-2,5-dihydrofuran-2-yl]propan-2-one (PubChem CID 14352522) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 1-[(2R)-2,5-dihydrofuran-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2R)-2,5-dihydrofuran-2-yl]propan-2-one
PubChem CID14352522
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name1-[(2R)-2,5-dihydrofuran-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1C=CCO1
InChIInChI=1S/C7H10O2/c1-6(8)5-7-3-2-4-9-7/h2-3,7H,4-5H2,1H3/t7-/m0/s1
InChIKeyAEJCBANCTMGQHU-ZETCQYMHSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2,5-dihydrofuran-2-yl]propan-2-one?
The IUPAC name of 1-[(2R)-2,5-dihydrofuran-2-yl]propan-2-one (CID 14352522) is 1-[(2R)-2,5-dihydrofuran-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2R)-2,5-dihydrofuran-2-yl]propan-2-one?
The canonical SMILES for 1-[(2R)-2,5-dihydrofuran-2-yl]propan-2-one is CC(=O)C[C@@H]1C=CCO1.
What is the InChIKey of 1-[(2R)-2,5-dihydrofuran-2-yl]propan-2-one?
The InChIKey is AEJCBANCTMGQHU-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10O2/c1-6(8)5-7-3-2-4-9-7/h2-3,7H,4-5H2,1H3/t7-/m0/s1.
What are the key properties of 1-[(2R)-2,5-dihydrofuran-2-yl]propan-2-one?
1-[(2R)-2,5-dihydrofuran-2-yl]propan-2-one has a molecular weight of 126.15 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2,5-dihydrofuran-2-yl]propan-2-one is sourced from PubChem (CID 14352522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).