3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole

C10H11NO2 — CID 43617598

IUPAC3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole
SMILESc1c2c(cc3c1OCCO3)NCC2
InChIInChI=1S/C10H11NO2/c1-2-11-8-6-10-9(5-7(1)8)12-3-4-13-10/h5-6,11H,1-4H2
InChIKeyYIUZODHMEHTFPY-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.43
Rot. Bonds

About 3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole

3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole (PubChem CID 43617598) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole.

Molecular Properties

Compound Name3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole
PubChem CID43617598
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole
SMILESc1c2c(cc3c1OCCO3)NCC2
InChIInChI=1S/C10H11NO2/c1-2-11-8-6-10-9(5-7(1)8)12-3-4-13-10/h5-6,11H,1-4H2
InChIKeyYIUZODHMEHTFPY-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole?
The IUPAC name of 3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole (CID 43617598) is 3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole.
What is the SMILES notation for 3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole?
The canonical SMILES for 3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole is c1c2c(cc3c1OCCO3)NCC2.
What is the InChIKey of 3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole?
The InChIKey is YIUZODHMEHTFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-11-8-6-10-9(5-7(1)8)12-3-4-13-10/h5-6,11H,1-4H2.
What are the key properties of 3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole?
3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole has a molecular weight of 177.20 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole is sourced from PubChem (CID 43617598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).