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

C15H16O2 — CID 24866080

IUPAC(5S,6S)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESC[C@@H]1C(=O)C2=C(CCCO2)[C@@H]1c1ccccc1
InChIInChI=1S/C15H16O2/c1-10-13(11-6-3-2-4-7-11)12-8-5-9-17-15(12)14(10)16/h2-4,6-7,10,13H,5,8-9H2,1H3/t10-,13-/m0/s1
InChIKeyWCKMOGPQRWQOJQ-GWCFXTLKSA-N
MW228.29 g/mol
LogP3.05
Rot. Bonds1

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

(5S,6S)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 24866080) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (5S,6S)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name(5S,6S)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID24866080
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(5S,6S)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESC[C@@H]1C(=O)C2=C(CCCO2)[C@@H]1c1ccccc1
InChIInChI=1S/C15H16O2/c1-10-13(11-6-3-2-4-7-11)12-8-5-9-17-15(12)14(10)16/h2-4,6-7,10,13H,5,8-9H2,1H3/t10-,13-/m0/s1
InChIKeyWCKMOGPQRWQOJQ-GWCFXTLKSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of (5S,6S)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 24866080) is (5S,6S)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for (5S,6S)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for (5S,6S)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is C[C@@H]1C(=O)C2=C(CCCO2)[C@@H]1c1ccccc1.
What is the InChIKey of (5S,6S)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is WCKMOGPQRWQOJQ-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H16O2/c1-10-13(11-6-3-2-4-7-11)12-8-5-9-17-15(12)14(10)16/h2-4,6-7,10,13H,5,8-9H2,1H3/t10-,13-/m0/s1.
What are the key properties of (5S,6S)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
(5S,6S)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 228.29 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 24866080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).