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

C9H12O2 — CID 10534856

IUPAC(4R,4aS)-4-methyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one
SMILESC[C@@H]1CCOC2=CC(=O)C[C@H]21
InChIInChI=1S/C9H12O2/c1-6-2-3-11-9-5-7(10)4-8(6)9/h5-6,8H,2-4H2,1H3/t6-,8+/m1/s1
InChIKeyFQSBGCSSSFWYHG-SVRRBLITSA-N
MW152.19 g/mol
LogP1.52
Rot. Bonds

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

(4R,4aS)-4-methyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one (PubChem CID 10534856) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (4R,4aS)-4-methyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one.

Molecular Properties

Compound Name(4R,4aS)-4-methyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one
PubChem CID10534856
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(4R,4aS)-4-methyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one
SMILESC[C@@H]1CCOC2=CC(=O)C[C@H]21
InChIInChI=1S/C9H12O2/c1-6-2-3-11-9-5-7(10)4-8(6)9/h5-6,8H,2-4H2,1H3/t6-,8+/m1/s1
InChIKeyFQSBGCSSSFWYHG-SVRRBLITSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,4aS)-4-methyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one?
The IUPAC name of (4R,4aS)-4-methyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one (CID 10534856) is (4R,4aS)-4-methyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one.
What is the SMILES notation for (4R,4aS)-4-methyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one?
The canonical SMILES for (4R,4aS)-4-methyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one is C[C@@H]1CCOC2=CC(=O)C[C@H]21.
What is the InChIKey of (4R,4aS)-4-methyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one?
The InChIKey is FQSBGCSSSFWYHG-SVRRBLITSA-N. The full InChI is InChI=1S/C9H12O2/c1-6-2-3-11-9-5-7(10)4-8(6)9/h5-6,8H,2-4H2,1H3/t6-,8+/m1/s1.
What are the key properties of (4R,4aS)-4-methyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one?
(4R,4aS)-4-methyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one has a molecular weight of 152.19 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aS)-4-methyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one is sourced from PubChem (CID 10534856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).