3-ethyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one

C10H14O2 — CID 89274856

IUPAC3-ethyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
SMILESCCC1COC2=C(CCC2)C1=O
InChIInChI=1S/C10H14O2/c1-2-7-6-12-9-5-3-4-8(9)10(7)11/h7H,2-6H2,1H3
InChIKeyIFUQAABWRGVRDA-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.05
Rot. Bonds1

About 3-ethyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one

3-ethyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one (PubChem CID 89274856) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-ethyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one.

Molecular Properties

Compound Name3-ethyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
PubChem CID89274856
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3-ethyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
SMILESCCC1COC2=C(CCC2)C1=O
InChIInChI=1S/C10H14O2/c1-2-7-6-12-9-5-3-4-8(9)10(7)11/h7H,2-6H2,1H3
InChIKeyIFUQAABWRGVRDA-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one?
The IUPAC name of 3-ethyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one (CID 89274856) is 3-ethyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one.
What is the SMILES notation for 3-ethyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one?
The canonical SMILES for 3-ethyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one is CCC1COC2=C(CCC2)C1=O.
What is the InChIKey of 3-ethyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one?
The InChIKey is IFUQAABWRGVRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-7-6-12-9-5-3-4-8(9)10(7)11/h7H,2-6H2,1H3.
What are the key properties of 3-ethyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one?
3-ethyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one has a molecular weight of 166.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one is sourced from PubChem (CID 89274856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).