1,3-dihydrocyclopenta[c]pyran

C8H8O — CID 67724778

IUPAC1,3-dihydrocyclopenta[c]pyran
SMILESC1=CC2=CCOCC2=C1
InChIInChI=1S/C8H8O/c1-2-7-4-5-9-6-8(7)3-1/h1-4H,5-6H2
InChIKeyQBNQBYLMLFSWDB-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.44
Rot. Bonds

About 1,3-dihydrocyclopenta[c]pyran

1,3-dihydrocyclopenta[c]pyran (PubChem CID 67724778) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is 1,3-dihydrocyclopenta[c]pyran.

Molecular Properties

Compound Name1,3-dihydrocyclopenta[c]pyran
PubChem CID67724778
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name1,3-dihydrocyclopenta[c]pyran
SMILESC1=CC2=CCOCC2=C1
InChIInChI=1S/C8H8O/c1-2-7-4-5-9-6-8(7)3-1/h1-4H,5-6H2
InChIKeyQBNQBYLMLFSWDB-UHFFFAOYSA-N
XLogP1.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydrocyclopenta[c]pyran?
The IUPAC name of 1,3-dihydrocyclopenta[c]pyran (CID 67724778) is 1,3-dihydrocyclopenta[c]pyran.
What is the SMILES notation for 1,3-dihydrocyclopenta[c]pyran?
The canonical SMILES for 1,3-dihydrocyclopenta[c]pyran is C1=CC2=CCOCC2=C1.
What is the InChIKey of 1,3-dihydrocyclopenta[c]pyran?
The InChIKey is QBNQBYLMLFSWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c1-2-7-4-5-9-6-8(7)3-1/h1-4H,5-6H2.
What are the key properties of 1,3-dihydrocyclopenta[c]pyran?
1,3-dihydrocyclopenta[c]pyran has a molecular weight of 120.15 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydrocyclopenta[c]pyran is sourced from PubChem (CID 67724778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).