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

C9H12O2 — CID 45098316

IUPAC(6R)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESC[C@@H]1CC2=C(OCCC2)C1=O
InChIInChI=1S/C9H12O2/c1-6-5-7-3-2-4-11-9(7)8(6)10/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyAGFXNFHZVOIVOP-ZCFIWIBFSA-N
MW152.19 g/mol
LogP1.66
Rot. Bonds

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

(6R)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 45098316) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (6R)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name(6R)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID45098316
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(6R)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESC[C@@H]1CC2=C(OCCC2)C1=O
InChIInChI=1S/C9H12O2/c1-6-5-7-3-2-4-11-9(7)8(6)10/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyAGFXNFHZVOIVOP-ZCFIWIBFSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of (6R)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 45098316) is (6R)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for (6R)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for (6R)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is C[C@@H]1CC2=C(OCCC2)C1=O.
What is the InChIKey of (6R)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is AGFXNFHZVOIVOP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12O2/c1-6-5-7-3-2-4-11-9(7)8(6)10/h6H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (6R)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
(6R)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 152.19 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 45098316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).