6,7-dihydro-4H-cyclopenta[b]pyran-5-one

C8H8O2 — CID 11629615

IUPAC6,7-dihydro-4H-cyclopenta[b]pyran-5-one
SMILESO=C1CCC2=C1CC=CO2
InChIInChI=1S/C8H8O2/c9-7-3-4-8-6(7)2-1-5-10-8/h1,5H,2-4H2
InChIKeyGAEDHKGJWMLISN-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.54
Rot. Bonds

About 6,7-dihydro-4H-cyclopenta[b]pyran-5-one

6,7-dihydro-4H-cyclopenta[b]pyran-5-one (PubChem CID 11629615) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 6,7-dihydro-4H-cyclopenta[b]pyran-5-one.

Molecular Properties

Compound Name6,7-dihydro-4H-cyclopenta[b]pyran-5-one
PubChem CID11629615
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name6,7-dihydro-4H-cyclopenta[b]pyran-5-one
SMILESO=C1CCC2=C1CC=CO2
InChIInChI=1S/C8H8O2/c9-7-3-4-8-6(7)2-1-5-10-8/h1,5H,2-4H2
InChIKeyGAEDHKGJWMLISN-UHFFFAOYSA-N
XLogP1.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Oxo-5,6,7,8-tetrahydro-4h-chromene
CID 14993949
Cyclopenta[b]pyran-4(5H)-one, 6,7-dihydro-
CID 12301531
2-Cyclohexen-1-one, 3-methoxy-2-(2-propenyl)-
CID 10986611
3-Methoxy-2-prop-2-enylcyclopent-2-en-1-one
CID 11263600
3-Methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one
CID 14399520
2-But-3-en-2-yl-3-methoxycyclopent-2-en-1-one
CID 14427967
3-Ethoxy-2-prop-2-enylcyclopent-2-en-1-one
CID 131849692
2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
CID 14950473
5-Methoxy-2,3,4,7-tetrahydroinden-1-one
CID 21849980
1-(2-Ethenoxycyclopenten-1-yl)ethanone
CID 164004485
2-methyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
CID 14732805
cyclopenten-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone
CID 14974779

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-cyclopenta[b]pyran-5-one?
The IUPAC name of 6,7-dihydro-4H-cyclopenta[b]pyran-5-one (CID 11629615) is 6,7-dihydro-4H-cyclopenta[b]pyran-5-one.
What is the SMILES notation for 6,7-dihydro-4H-cyclopenta[b]pyran-5-one?
The canonical SMILES for 6,7-dihydro-4H-cyclopenta[b]pyran-5-one is O=C1CCC2=C1CC=CO2.
What is the InChIKey of 6,7-dihydro-4H-cyclopenta[b]pyran-5-one?
The InChIKey is GAEDHKGJWMLISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c9-7-3-4-8-6(7)2-1-5-10-8/h1,5H,2-4H2.
What are the key properties of 6,7-dihydro-4H-cyclopenta[b]pyran-5-one?
6,7-dihydro-4H-cyclopenta[b]pyran-5-one has a molecular weight of 136.15 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-cyclopenta[b]pyran-5-one is sourced from PubChem (CID 11629615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).