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

C9H12O2 — CID 11412478

IUPAC5-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCC1CC(=O)C2=C1CCCO2
InChIInChI=1S/C9H12O2/c1-6-5-8(10)9-7(6)3-2-4-11-9/h6H,2-5H2,1H3
InChIKeyFNTMBJBXTHCSML-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.66
Rot. Bonds

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

5-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 11412478) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 5-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name5-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID11412478
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name5-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCC1CC(=O)C2=C1CCCO2
InChIInChI=1S/C9H12O2/c1-6-5-8(10)9-7(6)3-2-4-11-9/h6H,2-5H2,1H3
InChIKeyFNTMBJBXTHCSML-UHFFFAOYSA-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 5-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of 5-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 11412478) is 5-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for 5-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for 5-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is CC1CC(=O)C2=C1CCCO2.
What is the InChIKey of 5-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is FNTMBJBXTHCSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-6-5-8(10)9-7(6)3-2-4-11-9/h6H,2-5H2,1H3.
What are the key properties of 5-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
5-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 5-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 11412478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).