7,7a-dihydrocyclopenta[b]pyran

C8H8O — CID 151694541

IUPAC7,7a-dihydrocyclopenta[b]pyran
SMILESC1=COC2CC=CC2=C1
InChIInChI=1S/C8H8O/c1-3-7-4-2-6-9-8(7)5-1/h1-4,6,8H,5H2
InChIKeyRDGTZHYAZCFQTB-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.79
Rot. Bonds

About 7,7a-dihydrocyclopenta[b]pyran

7,7a-dihydrocyclopenta[b]pyran (PubChem CID 151694541) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is 7,7a-dihydrocyclopenta[b]pyran.

Molecular Properties

Compound Name7,7a-dihydrocyclopenta[b]pyran
PubChem CID151694541
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name7,7a-dihydrocyclopenta[b]pyran
SMILESC1=COC2CC=CC2=C1
InChIInChI=1S/C8H8O/c1-3-7-4-2-6-9-8(7)5-1/h1-4,6,8H,5H2
InChIKeyRDGTZHYAZCFQTB-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10aH-pyrano[3,2-h][1,4]benzodioxine
CID 22324460
7,7a-dihydro-1,3-benzoxazol-3-ium
CID 173071668
2-bromo-7,7a-dihydro-1,3-benzoxazole
CID 167108980
(2R)-2-(2-chlorophenyl)-2,3-dihydrofuran
CID 139822422
5-(2,3-dihydrofuran-2-yl)-1H-pyrimidin-2-one
CID 89385379
2,10b-dihydropyrano[2,3-f]chromene
CID 155075232
8-methyl-8,8a-dihydro-2H-chromene
CID 91310299
2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromene
CID 67608971
2,3-difluoro-2H-pyran
CID 175126929
(8R)-8-methyl-7-oxabicyclo[4.2.0]octa-1,3-diene
CID 89411945
2,2-difluoro-7-methyl-3a,4-dihydro-1,3-benzodioxole
CID 163443458
2,8a-dihydro-1H-pyrano[2,3-d]pyrimidin-2-amine
CID 70438350

Frequently Asked Questions

What is the IUPAC name of 7,7a-dihydrocyclopenta[b]pyran?
The IUPAC name of 7,7a-dihydrocyclopenta[b]pyran (CID 151694541) is 7,7a-dihydrocyclopenta[b]pyran.
What is the SMILES notation for 7,7a-dihydrocyclopenta[b]pyran?
The canonical SMILES for 7,7a-dihydrocyclopenta[b]pyran is C1=COC2CC=CC2=C1.
What is the InChIKey of 7,7a-dihydrocyclopenta[b]pyran?
The InChIKey is RDGTZHYAZCFQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c1-3-7-4-2-6-9-8(7)5-1/h1-4,6,8H,5H2.
What are the key properties of 7,7a-dihydrocyclopenta[b]pyran?
7,7a-dihydrocyclopenta[b]pyran has a molecular weight of 120.15 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7a-dihydrocyclopenta[b]pyran is sourced from PubChem (CID 151694541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).