1-[(2S)-2-ethynyl-5-methyl-2,3-dihydrofuran-4-yl]ethanone

C9H10O2 — CID 93493754

IUPAC1-[(2S)-2-ethynyl-5-methyl-2,3-dihydrofuran-4-yl]ethanone
SMILESC#C[C@@H]1CC(C(C)=O)=C(C)O1
InChIInChI=1S/C9H10O2/c1-4-8-5-9(6(2)10)7(3)11-8/h1,8H,5H2,2-3H3/t8-/m1/s1
InChIKeyGCFDUENSDPVSFP-MRVPVSSYSA-N
MW150.18 g/mol
LogP1.27
Rot. Bonds1

About 1-[(2S)-2-ethynyl-5-methyl-2,3-dihydrofuran-4-yl]ethanone

1-[(2S)-2-ethynyl-5-methyl-2,3-dihydrofuran-4-yl]ethanone (PubChem CID 93493754) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-[(2S)-2-ethynyl-5-methyl-2,3-dihydrofuran-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-ethynyl-5-methyl-2,3-dihydrofuran-4-yl]ethanone
PubChem CID93493754
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1-[(2S)-2-ethynyl-5-methyl-2,3-dihydrofuran-4-yl]ethanone
SMILESC#C[C@@H]1CC(C(C)=O)=C(C)O1
InChIInChI=1S/C9H10O2/c1-4-8-5-9(6(2)10)7(3)11-8/h1,8H,5H2,2-3H3/t8-/m1/s1
InChIKeyGCFDUENSDPVSFP-MRVPVSSYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-ethynyl-5-methyl-2,3-dihydrofuran-4-yl]ethanone?
The IUPAC name of 1-[(2S)-2-ethynyl-5-methyl-2,3-dihydrofuran-4-yl]ethanone (CID 93493754) is 1-[(2S)-2-ethynyl-5-methyl-2,3-dihydrofuran-4-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-ethynyl-5-methyl-2,3-dihydrofuran-4-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-ethynyl-5-methyl-2,3-dihydrofuran-4-yl]ethanone is C#C[C@@H]1CC(C(C)=O)=C(C)O1.
What is the InChIKey of 1-[(2S)-2-ethynyl-5-methyl-2,3-dihydrofuran-4-yl]ethanone?
The InChIKey is GCFDUENSDPVSFP-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10O2/c1-4-8-5-9(6(2)10)7(3)11-8/h1,8H,5H2,2-3H3/t8-/m1/s1.
What are the key properties of 1-[(2S)-2-ethynyl-5-methyl-2,3-dihydrofuran-4-yl]ethanone?
1-[(2S)-2-ethynyl-5-methyl-2,3-dihydrofuran-4-yl]ethanone has a molecular weight of 150.18 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-ethynyl-5-methyl-2,3-dihydrofuran-4-yl]ethanone is sourced from PubChem (CID 93493754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).