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

C15H16O2 — CID 102284593

IUPAC(6S)-6-benzyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESO=C1C2=C(CCCO2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H16O2/c16-14-13(9-11-5-2-1-3-6-11)10-12-7-4-8-17-15(12)14/h1-3,5-6,13H,4,7-10H2/t13-/m0/s1
InChIKeyADWFDRIOARIPQT-ZDUSSCGKSA-N
MW228.29 g/mol
LogP2.88
Rot. Bonds2

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

(6S)-6-benzyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 102284593) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (6S)-6-benzyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name(6S)-6-benzyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID102284593
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(6S)-6-benzyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESO=C1C2=C(CCCO2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H16O2/c16-14-13(9-11-5-2-1-3-6-11)10-12-7-4-8-17-15(12)14/h1-3,5-6,13H,4,7-10H2/t13-/m0/s1
InChIKeyADWFDRIOARIPQT-ZDUSSCGKSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dimethoxydalbergione
CID 115019
2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-(1-phenyl-2-propenyl)-
CID 189985
2-Methoxy-6-benzyl-1,4-benzoquinone
CID 11775935
Fusarilin C
CID 168294970
Fusarilin D
CID 168295026
2,3-Dimethoxy-5-methyl-6-phenylcyclohexa-2,5-diene-1,4-dione
CID 44392463
5-Benzyl-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183880
2-Methoxy-4-phenylcyclohexan-1-one
CID 19030151
(6R,7R)-3-methoxy-6-methyl-7-phenylbicyclo[3.2.1]oct-3-ene-2,8-dione
CID 49859414
3-Isopropoxy-4-phenyl-3-cyclobutene-1,2-dione
CID 1803498
2,3-Dihydronaphtho[2,3-b]furan-4,9-dione
CID 608220
3-Methoxy-4-phenylcyclobut-3-ene-1,2-dione
CID 10352447

Frequently Asked Questions

What is the IUPAC name of (6S)-6-benzyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of (6S)-6-benzyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 102284593) is (6S)-6-benzyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for (6S)-6-benzyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for (6S)-6-benzyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is O=C1C2=C(CCCO2)C[C@@H]1Cc1ccccc1.
What is the InChIKey of (6S)-6-benzyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is ADWFDRIOARIPQT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16O2/c16-14-13(9-11-5-2-1-3-6-11)10-12-7-4-8-17-15(12)14/h1-3,5-6,13H,4,7-10H2/t13-/m0/s1.
What are the key properties of (6S)-6-benzyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
(6S)-6-benzyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 228.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-benzyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 102284593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).