5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one

C8H10O2 — CID 11137230

IUPAC5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one
SMILESO=C1C=C2CCCC2CO1
InChIInChI=1S/C8H10O2/c9-8-4-6-2-1-3-7(6)5-10-8/h4,7H,1-3,5H2
InChIKeyKQFQDFVEHWTKEA-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.27
Rot. Bonds

About 5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one

5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one (PubChem CID 11137230) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one.

Molecular Properties

Compound Name5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one
PubChem CID11137230
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one
SMILESO=C1C=C2CCCC2CO1
InChIInChI=1S/C8H10O2/c9-8-4-6-2-1-3-7(6)5-10-8/h4,7H,1-3,5H2
InChIKeyKQFQDFVEHWTKEA-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one?
The IUPAC name of 5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one (CID 11137230) is 5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one.
What is the SMILES notation for 5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one?
The canonical SMILES for 5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one is O=C1C=C2CCCC2CO1.
What is the InChIKey of 5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one?
The InChIKey is KQFQDFVEHWTKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-8-4-6-2-1-3-7(6)5-10-8/h4,7H,1-3,5H2.
What are the key properties of 5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one?
5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one has a molecular weight of 138.17 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one is sourced from PubChem (CID 11137230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).