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

C13H20O2 — CID 170742861

IUPAC4-ethyl-2-propyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one
SMILESCCCC1CC(CC)C2=C(CCC2=O)O1
InChIInChI=1S/C13H20O2/c1-3-5-10-8-9(4-2)13-11(14)6-7-12(13)15-10/h9-10H,3-8H2,1-2H3
InChIKeyGFYNXMAVRUEBAD-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.22
Rot. Bonds3

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

4-ethyl-2-propyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one (PubChem CID 170742861) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-ethyl-2-propyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one.

Molecular Properties

Compound Name4-ethyl-2-propyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one
PubChem CID170742861
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-ethyl-2-propyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one
SMILESCCCC1CC(CC)C2=C(CCC2=O)O1
InChIInChI=1S/C13H20O2/c1-3-5-10-8-9(4-2)13-11(14)6-7-12(13)15-10/h9-10H,3-8H2,1-2H3
InChIKeyGFYNXMAVRUEBAD-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-propyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one?
The IUPAC name of 4-ethyl-2-propyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one (CID 170742861) is 4-ethyl-2-propyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one.
What is the SMILES notation for 4-ethyl-2-propyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one?
The canonical SMILES for 4-ethyl-2-propyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one is CCCC1CC(CC)C2=C(CCC2=O)O1.
What is the InChIKey of 4-ethyl-2-propyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one?
The InChIKey is GFYNXMAVRUEBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-5-10-8-9(4-2)13-11(14)6-7-12(13)15-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-2-propyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one?
4-ethyl-2-propyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one has a molecular weight of 208.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-propyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one is sourced from PubChem (CID 170742861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).