1-[(2S)-3,6-dihydro-2H-pyran-2-yl]ethanone

C7H10O2 — CID 59970369

IUPAC1-[(2S)-3,6-dihydro-2H-pyran-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC=CCO1
InChIInChI=1S/C7H10O2/c1-6(8)7-4-2-3-5-9-7/h2-3,7H,4-5H2,1H3/t7-/m0/s1
InChIKeyCESUCHBNFYSUMX-ZETCQYMHSA-N
MW126.15 g/mol
LogP0.92
Rot. Bonds1

About 1-[(2S)-3,6-dihydro-2H-pyran-2-yl]ethanone

1-[(2S)-3,6-dihydro-2H-pyran-2-yl]ethanone (PubChem CID 59970369) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 1-[(2S)-3,6-dihydro-2H-pyran-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-3,6-dihydro-2H-pyran-2-yl]ethanone
PubChem CID59970369
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name1-[(2S)-3,6-dihydro-2H-pyran-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC=CCO1
InChIInChI=1S/C7H10O2/c1-6(8)7-4-2-3-5-9-7/h2-3,7H,4-5H2,1H3/t7-/m0/s1
InChIKeyCESUCHBNFYSUMX-ZETCQYMHSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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-[(2S)-3,6-dihydro-2H-pyran-2-yl]ethanone?
The IUPAC name of 1-[(2S)-3,6-dihydro-2H-pyran-2-yl]ethanone (CID 59970369) is 1-[(2S)-3,6-dihydro-2H-pyran-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-3,6-dihydro-2H-pyran-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-3,6-dihydro-2H-pyran-2-yl]ethanone is CC(=O)[C@@H]1CC=CCO1.
What is the InChIKey of 1-[(2S)-3,6-dihydro-2H-pyran-2-yl]ethanone?
The InChIKey is CESUCHBNFYSUMX-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10O2/c1-6(8)7-4-2-3-5-9-7/h2-3,7H,4-5H2,1H3/t7-/m0/s1.
What are the key properties of 1-[(2S)-3,6-dihydro-2H-pyran-2-yl]ethanone?
1-[(2S)-3,6-dihydro-2H-pyran-2-yl]ethanone has a molecular weight of 126.15 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3,6-dihydro-2H-pyran-2-yl]ethanone is sourced from PubChem (CID 59970369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).