3-methylsulfonyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene

C10H10O3S — CID 90377232

IUPAC3-methylsulfonyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
SMILESCS(=O)(=O)c1ccc2c(c1)C1OC1C2
InChIInChI=1S/C10H10O3S/c1-14(11,12)7-3-2-6-4-9-10(13-9)8(6)5-7/h2-3,5,9-10H,4H2,1H3
InChIKeyPXBINDCEWNJTLP-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.09
Rot. Bonds1

About 3-methylsulfonyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene

3-methylsulfonyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene (PubChem CID 90377232) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-methylsulfonyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene.

Molecular Properties

Compound Name3-methylsulfonyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
PubChem CID90377232
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Name3-methylsulfonyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
SMILESCS(=O)(=O)c1ccc2c(c1)C1OC1C2
InChIInChI=1S/C10H10O3S/c1-14(11,12)7-3-2-6-4-9-10(13-9)8(6)5-7/h2-3,5,9-10H,4H2,1H3
InChIKeyPXBINDCEWNJTLP-UHFFFAOYSA-N
XLogP1.09
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-methylsulfonyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene?
The IUPAC name of 3-methylsulfonyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene (CID 90377232) is 3-methylsulfonyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene.
What is the SMILES notation for 3-methylsulfonyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene?
The canonical SMILES for 3-methylsulfonyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene is CS(=O)(=O)c1ccc2c(c1)C1OC1C2.
What is the InChIKey of 3-methylsulfonyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene?
The InChIKey is PXBINDCEWNJTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S/c1-14(11,12)7-3-2-6-4-9-10(13-9)8(6)5-7/h2-3,5,9-10H,4H2,1H3.
What are the key properties of 3-methylsulfonyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene?
3-methylsulfonyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene has a molecular weight of 210.25 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene is sourced from PubChem (CID 90377232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).