4,5,6,6b-tetrahydro-3H-oxireno[2,3-e]indole

C8H9NO — CID 131863935

IUPAC4,5,6,6b-tetrahydro-3H-oxireno[2,3-e]indole
SMILESC1=C2OC2C2=C(C1)NCC2
InChIInChI=1S/C8H9NO/c1-2-7-8(10-7)5-3-4-9-6(1)5/h2,8-9H,1,3-4H2
InChIKeyPCNCVXCVKDUYKH-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.92
Rot. Bonds

About 4,5,6,6b-tetrahydro-3H-oxireno[2,3-e]indole

4,5,6,6b-tetrahydro-3H-oxireno[2,3-e]indole (PubChem CID 131863935) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 4,5,6,6b-tetrahydro-3H-oxireno[2,3-e]indole.

Molecular Properties

Compound Name4,5,6,6b-tetrahydro-3H-oxireno[2,3-e]indole
PubChem CID131863935
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name4,5,6,6b-tetrahydro-3H-oxireno[2,3-e]indole
SMILESC1=C2OC2C2=C(C1)NCC2
InChIInChI=1S/C8H9NO/c1-2-7-8(10-7)5-3-4-9-6(1)5/h2,8-9H,1,3-4H2
InChIKeyPCNCVXCVKDUYKH-UHFFFAOYSA-N
XLogP0.92
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.92
H-Bond Donors ≤ 51
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 4,5,6,6b-tetrahydro-3H-oxireno[2,3-e]indole?
The IUPAC name of 4,5,6,6b-tetrahydro-3H-oxireno[2,3-e]indole (CID 131863935) is 4,5,6,6b-tetrahydro-3H-oxireno[2,3-e]indole.
What is the SMILES notation for 4,5,6,6b-tetrahydro-3H-oxireno[2,3-e]indole?
The canonical SMILES for 4,5,6,6b-tetrahydro-3H-oxireno[2,3-e]indole is C1=C2OC2C2=C(C1)NCC2.
What is the InChIKey of 4,5,6,6b-tetrahydro-3H-oxireno[2,3-e]indole?
The InChIKey is PCNCVXCVKDUYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-2-7-8(10-7)5-3-4-9-6(1)5/h2,8-9H,1,3-4H2.
What are the key properties of 4,5,6,6b-tetrahydro-3H-oxireno[2,3-e]indole?
4,5,6,6b-tetrahydro-3H-oxireno[2,3-e]indole has a molecular weight of 135.17 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,6b-tetrahydro-3H-oxireno[2,3-e]indole is sourced from PubChem (CID 131863935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).