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

C8H10O2 — CID 155226826

IUPAC5,6,7,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one
SMILESO=C1OCC=C2CCCC12
InChIInChI=1S/C8H10O2/c9-8-7-3-1-2-6(7)4-5-10-8/h4,7H,1-3,5H2
InChIKeyGLUPQDKANKFFHZ-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.27
Rot. Bonds

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

5,6,7,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one (PubChem CID 155226826) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5,6,7,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one.

Molecular Properties

Compound Name5,6,7,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one
PubChem CID155226826
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name5,6,7,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one
SMILESO=C1OCC=C2CCCC12
InChIInChI=1S/C8H10O2/c9-8-7-3-1-2-6(7)4-5-10-8/h4,7H,1-3,5H2
InChIKeyGLUPQDKANKFFHZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 3016281
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CID 11679849
cis-(2R,6S)-2-(cyclohexen-1-yl)-6-[[(1R,3R)-3-(cyclohexen-1-yl)-2-oxocyclohexyl]methyl]cyclohexan-1-one
CID 7350087
4,6,7,8,9,9a-hexahydro-1H-cyclopenta[a]naphthalene
CID 173020561
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CID 134873151
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3-(2-fluorophenyl)oxan-2-one
CID 121220239
bicyclo[3.2.0]hept-1(7)-ene
CID 86002949
(1R,9E,13S)-6,10,14,14-tetramethyl-3-oxabicyclo[11.1.0]tetradeca-5,9-dien-2-one
CID 42619119
(3R,7aS)-3-methyl-5,6,7,7a-tetrahydro-3H-1-benzofuran-2-one
CID 10654408
4-(cyclopentylmethyl)-2H-furan-5-one
CID 141001109
1,2,3,3a,4,5-hexahydropentalene
CID 13058233

Frequently Asked Questions

What is the IUPAC name of 5,6,7,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one?
The IUPAC name of 5,6,7,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one (CID 155226826) is 5,6,7,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one.
What is the SMILES notation for 5,6,7,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one?
The canonical SMILES for 5,6,7,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one is O=C1OCC=C2CCCC12.
What is the InChIKey of 5,6,7,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one?
The InChIKey is GLUPQDKANKFFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-8-7-3-1-2-6(7)4-5-10-8/h4,7H,1-3,5H2.
What are the key properties of 5,6,7,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one?
5,6,7,7a-tetrahydro-3H-cyclopenta[c]pyran-1-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-3H-cyclopenta[c]pyran-1-one is sourced from PubChem (CID 155226826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).