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

C7H10O2 — CID 20692457

IUPAC1-(3,6-dihydro-2H-pyran-2-yl)ethanone
SMILESCC(=O)C1CC=CCO1
InChIInChI=1S/C7H10O2/c1-6(8)7-4-2-3-5-9-7/h2-3,7H,4-5H2,1H3
InChIKeyCESUCHBNFYSUMX-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.92
Rot. Bonds1

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

1-(3,6-dihydro-2H-pyran-2-yl)ethanone (PubChem CID 20692457) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyran-2-yl)ethanone
PubChem CID20692457
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name1-(3,6-dihydro-2H-pyran-2-yl)ethanone
SMILESCC(=O)C1CC=CCO1
InChIInChI=1S/C7H10O2/c1-6(8)7-4-2-3-5-9-7/h2-3,7H,4-5H2,1H3
InChIKeyCESUCHBNFYSUMX-UHFFFAOYSA-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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Related Compounds

2,6-dimethyl-2H-pyran-5-one
CID 22916282
(2S,6R)-6-methyl-2-prop-2-enyl-2H-pyran-5-one
CID 72707769
6-methyl-3,6-dihydro-2H-pyran-3-one
CID 76118878
5,6-Dihydro-2H-pyran-2-carbaldehyde
CID 557816
9-Oxa-bicyclo[3.3.1]nona-3,6-dien-2-one
CID 572024
(2R,6S)-2,6-dimethyl-2H-pyran-5-one
CID 10749188
(2R,6R)-2,6-dimethyl-2H-pyran-5-one
CID 10772980
1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone
CID 11182856
1-Cyclohex-2-en-1-yloxypropan-2-one
CID 13618029
(1R,5S)-9-oxabicyclo[3.3.1]nona-3,6-dien-2-one
CID 21763750
(2S,6S)-2,6-dimethyl-2H-pyran-5-one
CID 10772979
1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethanone
CID 12279454

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyran-2-yl)ethanone?
The IUPAC name of 1-(3,6-dihydro-2H-pyran-2-yl)ethanone (CID 20692457) is 1-(3,6-dihydro-2H-pyran-2-yl)ethanone.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyran-2-yl)ethanone?
The canonical SMILES for 1-(3,6-dihydro-2H-pyran-2-yl)ethanone is CC(=O)C1CC=CCO1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyran-2-yl)ethanone?
The InChIKey is CESUCHBNFYSUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-6(8)7-4-2-3-5-9-7/h2-3,7H,4-5H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-pyran-2-yl)ethanone?
1-(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-(3,6-dihydro-2H-pyran-2-yl)ethanone is sourced from PubChem (CID 20692457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).