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

C15H16O2 — CID 10680866

IUPAC(4R,4aR,5S)-4-methyl-5-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one
SMILESC[C@@H]1CCOC2=CC(=O)[C@H](c3ccccc3)[C@H]21
InChIInChI=1S/C15H16O2/c1-10-7-8-17-13-9-12(16)15(14(10)13)11-5-3-2-4-6-11/h2-6,9-10,14-15H,7-8H2,1H3/t10-,14+,15+/m1/s1
InChIKeyJRVAXWOADGGWCO-ONERCXAPSA-N
MW228.29 g/mol
LogP2.91
Rot. Bonds1

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

(4R,4aR,5S)-4-methyl-5-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one (PubChem CID 10680866) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (4R,4aR,5S)-4-methyl-5-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one.

Molecular Properties

Compound Name(4R,4aR,5S)-4-methyl-5-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one
PubChem CID10680866
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(4R,4aR,5S)-4-methyl-5-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one
SMILESC[C@@H]1CCOC2=CC(=O)[C@H](c3ccccc3)[C@H]21
InChIInChI=1S/C15H16O2/c1-10-7-8-17-13-9-12(16)15(14(10)13)11-5-3-2-4-6-11/h2-6,9-10,14-15H,7-8H2,1H3/t10-,14+,15+/m1/s1
InChIKeyJRVAXWOADGGWCO-ONERCXAPSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,4aR,5S)-4-methyl-5-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one with MolForge

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Related Compounds

(3S,4R)-3,4-diphenyloxan-2-one
CID 102139812
(4S,4aS)-4-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one
CID 10822521
4-methyl-3-phenylsulfanyloxan-2-one
CID 14862270
(4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one
CID 14068206
(5S,6R)-6-methyl-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene
CID 102517948
2-methyl-3,4-diphenylcyclobutan-1-one
CID 12734579
4-phenyl-1,3-dioxan-2-one
CID 14661659
3-bromo-4-methyl-2-phenyloxane
CID 154134533
(1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one
CID 98624727
(4R,5R)-5-methyl-4-phenyloxan-2-one
CID 10607707
(3aR,5R)-5-phenyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
CID 15871516
3,4-dimethyloxan-2-one
CID 13200721

Frequently Asked Questions

What is the IUPAC name of (4R,4aR,5S)-4-methyl-5-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one?
The IUPAC name of (4R,4aR,5S)-4-methyl-5-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one (CID 10680866) is (4R,4aR,5S)-4-methyl-5-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one.
What is the SMILES notation for (4R,4aR,5S)-4-methyl-5-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one?
The canonical SMILES for (4R,4aR,5S)-4-methyl-5-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one is C[C@@H]1CCOC2=CC(=O)[C@H](c3ccccc3)[C@H]21.
What is the InChIKey of (4R,4aR,5S)-4-methyl-5-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one?
The InChIKey is JRVAXWOADGGWCO-ONERCXAPSA-N. The full InChI is InChI=1S/C15H16O2/c1-10-7-8-17-13-9-12(16)15(14(10)13)11-5-3-2-4-6-11/h2-6,9-10,14-15H,7-8H2,1H3/t10-,14+,15+/m1/s1.
What are the key properties of (4R,4aR,5S)-4-methyl-5-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one?
(4R,4aR,5S)-4-methyl-5-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one has a molecular weight of 228.29 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR,5S)-4-methyl-5-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one is sourced from PubChem (CID 10680866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).