2,3,6,7-tetrahydro-1aH-indeno[1,7a-b]oxiren-5-one

C9H10O2 — CID 143661885

IUPAC2,3,6,7-tetrahydro-1aH-indeno[1,7a-b]oxiren-5-one
SMILESO=C1C=C2CCC3OC23CC1
InChIInChI=1S/C9H10O2/c10-7-3-4-9-6(5-7)1-2-8(9)11-9/h5,8H,1-4H2
InChIKeyRHOAPEGHZJJFSC-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.21
Rot. Bonds

About 2,3,6,7-tetrahydro-1aH-indeno[1,7a-b]oxiren-5-one

2,3,6,7-tetrahydro-1aH-indeno[1,7a-b]oxiren-5-one (PubChem CID 143661885) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2,3,6,7-tetrahydro-1aH-indeno[1,7a-b]oxiren-5-one.

Molecular Properties

Compound Name2,3,6,7-tetrahydro-1aH-indeno[1,7a-b]oxiren-5-one
PubChem CID143661885
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2,3,6,7-tetrahydro-1aH-indeno[1,7a-b]oxiren-5-one
SMILESO=C1C=C2CCC3OC23CC1
InChIInChI=1S/C9H10O2/c10-7-3-4-9-6(5-7)1-2-8(9)11-9/h5,8H,1-4H2
InChIKeyRHOAPEGHZJJFSC-UHFFFAOYSA-N
XLogP1.21
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.21
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 2,3,6,7-tetrahydro-1aH-indeno[1,7a-b]oxiren-5-one?
The IUPAC name of 2,3,6,7-tetrahydro-1aH-indeno[1,7a-b]oxiren-5-one (CID 143661885) is 2,3,6,7-tetrahydro-1aH-indeno[1,7a-b]oxiren-5-one.
What is the SMILES notation for 2,3,6,7-tetrahydro-1aH-indeno[1,7a-b]oxiren-5-one?
The canonical SMILES for 2,3,6,7-tetrahydro-1aH-indeno[1,7a-b]oxiren-5-one is O=C1C=C2CCC3OC23CC1.
What is the InChIKey of 2,3,6,7-tetrahydro-1aH-indeno[1,7a-b]oxiren-5-one?
The InChIKey is RHOAPEGHZJJFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-7-3-4-9-6(5-7)1-2-8(9)11-9/h5,8H,1-4H2.
What are the key properties of 2,3,6,7-tetrahydro-1aH-indeno[1,7a-b]oxiren-5-one?
2,3,6,7-tetrahydro-1aH-indeno[1,7a-b]oxiren-5-one has a molecular weight of 150.18 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrahydro-1aH-indeno[1,7a-b]oxiren-5-one is sourced from PubChem (CID 143661885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).