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

C11H16O2 — CID 135055622

IUPAC(6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCCC[C@H]1CC2=C(OCCC2)C1=O
InChIInChI=1S/C11H16O2/c1-2-4-8-7-9-5-3-6-13-11(9)10(8)12/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyGMJVAWINFGVAGX-QMMMGPOBSA-N
MW180.25 g/mol
LogP2.44
Rot. Bonds2

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

(6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 135055622) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name(6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID135055622
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCCC[C@H]1CC2=C(OCCC2)C1=O
InChIInChI=1S/C11H16O2/c1-2-4-8-7-9-5-3-6-13-11(9)10(8)12/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyGMJVAWINFGVAGX-QMMMGPOBSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of (6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 135055622) is (6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for (6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for (6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is CCC[C@H]1CC2=C(OCCC2)C1=O.
What is the InChIKey of (6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is GMJVAWINFGVAGX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-4-8-7-9-5-3-6-13-11(9)10(8)12/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
(6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 180.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 135055622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).