7,7a-dihydro-1aH-oxireno[2,3-b]chromene

C9H8O2 — CID 54230877

IUPAC7,7a-dihydro-1aH-oxireno[2,3-b]chromene
SMILESc1ccc2c(c1)CC1OC1O2
InChIInChI=1S/C9H8O2/c1-2-4-7-6(3-1)5-8-9(10-7)11-8/h1-4,8-9H,5H2
InChIKeyQJEHIPIWRZLUBV-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.35
Rot. Bonds

About 7,7a-dihydro-1aH-oxireno[2,3-b]chromene

7,7a-dihydro-1aH-oxireno[2,3-b]chromene (PubChem CID 54230877) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 7,7a-dihydro-1aH-oxireno[2,3-b]chromene.

Molecular Properties

Compound Name7,7a-dihydro-1aH-oxireno[2,3-b]chromene
PubChem CID54230877
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name7,7a-dihydro-1aH-oxireno[2,3-b]chromene
SMILESc1ccc2c(c1)CC1OC1O2
InChIInChI=1S/C9H8O2/c1-2-4-7-6(3-1)5-8-9(10-7)11-8/h1-4,8-9H,5H2
InChIKeyQJEHIPIWRZLUBV-UHFFFAOYSA-N
XLogP1.35
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7a-dihydro-1aH-oxireno[2,3-b]chromene?
The IUPAC name of 7,7a-dihydro-1aH-oxireno[2,3-b]chromene (CID 54230877) is 7,7a-dihydro-1aH-oxireno[2,3-b]chromene.
What is the SMILES notation for 7,7a-dihydro-1aH-oxireno[2,3-b]chromene?
The canonical SMILES for 7,7a-dihydro-1aH-oxireno[2,3-b]chromene is c1ccc2c(c1)CC1OC1O2.
What is the InChIKey of 7,7a-dihydro-1aH-oxireno[2,3-b]chromene?
The InChIKey is QJEHIPIWRZLUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c1-2-4-7-6(3-1)5-8-9(10-7)11-8/h1-4,8-9H,5H2.
What are the key properties of 7,7a-dihydro-1aH-oxireno[2,3-b]chromene?
7,7a-dihydro-1aH-oxireno[2,3-b]chromene has a molecular weight of 148.16 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7a-dihydro-1aH-oxireno[2,3-b]chromene is sourced from PubChem (CID 54230877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).