2-ethyl-2,3-dihydropyran-4-one

C7H10O2 — CID 13197910

IUPAC2-ethyl-2,3-dihydropyran-4-one
SMILESCCC1CC(=O)C=CO1
InChIInChI=1S/C7H10O2/c1-2-7-5-6(8)3-4-9-7/h3-4,7H,2,5H2,1H3
InChIKeyWCFTXDNELIIDKI-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds1

About 2-ethyl-2,3-dihydropyran-4-one

2-ethyl-2,3-dihydropyran-4-one (PubChem CID 13197910) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2-ethyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-ethyl-2,3-dihydropyran-4-one
PubChem CID13197910
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2-ethyl-2,3-dihydropyran-4-one
SMILESCCC1CC(=O)C=CO1
InChIInChI=1S/C7H10O2/c1-2-7-5-6(8)3-4-9-7/h3-4,7H,2,5H2,1H3
InChIKeyWCFTXDNELIIDKI-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3-dihydropyran-4-one?
The IUPAC name of 2-ethyl-2,3-dihydropyran-4-one (CID 13197910) is 2-ethyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-ethyl-2,3-dihydropyran-4-one?
The canonical SMILES for 2-ethyl-2,3-dihydropyran-4-one is CCC1CC(=O)C=CO1.
What is the InChIKey of 2-ethyl-2,3-dihydropyran-4-one?
The InChIKey is WCFTXDNELIIDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-7-5-6(8)3-4-9-7/h3-4,7H,2,5H2,1H3.
What are the key properties of 2-ethyl-2,3-dihydropyran-4-one?
2-ethyl-2,3-dihydropyran-4-one has a molecular weight of 126.15 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 2-ethyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 13197910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).