[1,4]dioxino[2,3-e]indol-8-one

C10H5NO3 — CID 69189548

IUPAC[1,4]dioxino[2,3-e]indol-8-one
SMILESO=c1cc2c(ccc3occoc32)n1
InChIInChI=1S/C10H5NO3/c12-9-5-6-7(11-9)1-2-8-10(6)14-4-3-13-8/h1-5H
InChIKeyBYYPZLZUDUJJTA-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.93
Rot. Bonds

About [1,4]dioxino[2,3-e]indol-8-one

[1,4]dioxino[2,3-e]indol-8-one (PubChem CID 69189548) has the molecular formula C10H5NO3 and a molecular weight of 187.15 g/mol. Its IUPAC name is [1,4]dioxino[2,3-e]indol-8-one.

Molecular Properties

Compound Name[1,4]dioxino[2,3-e]indol-8-one
PubChem CID69189548
Molecular FormulaC10H5NO3
Molecular Weight187.15 g/mol
Exact Mass187.03
IUPAC Name[1,4]dioxino[2,3-e]indol-8-one
SMILESO=c1cc2c(ccc3occoc32)n1
InChIInChI=1S/C10H5NO3/c12-9-5-6-7(11-9)1-2-8-10(6)14-4-3-13-8/h1-5H
InChIKeyBYYPZLZUDUJJTA-UHFFFAOYSA-N
XLogP1.93
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Trifluoromethoxy)indol-2-one
CID 71776005
Pyrano[3,2-c]quinolin-5-one
CID 21977525
Pyranoquinolone
CID 87068579
2h-Furo[3,2-c]quinolin-4-one
CID 88322838
5-(2,2,2-Trifluoroethoxy)indol-2-one
CID 23212390
3,5-Dimethylfuro[3,2-g]quinolin-7-one
CID 129782358
Furo[3,2-g]quinolin-7-one
CID 129869574
6-Methoxybenzazepin-2-one
CID 20137812
5-Methoxyindol-2-one
CID 23212395
5-Ethoxyindol-2-one
CID 23212399
5,6-Dimethoxyindol-2-one
CID 46739843
6-Methoxyindol-2-one
CID 46739860

Frequently Asked Questions

What is the IUPAC name of [1,4]dioxino[2,3-e]indol-8-one?
The IUPAC name of [1,4]dioxino[2,3-e]indol-8-one (CID 69189548) is [1,4]dioxino[2,3-e]indol-8-one.
What is the SMILES notation for [1,4]dioxino[2,3-e]indol-8-one?
The canonical SMILES for [1,4]dioxino[2,3-e]indol-8-one is O=c1cc2c(ccc3occoc32)n1.
What is the InChIKey of [1,4]dioxino[2,3-e]indol-8-one?
The InChIKey is BYYPZLZUDUJJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5NO3/c12-9-5-6-7(11-9)1-2-8-10(6)14-4-3-13-8/h1-5H.
What are the key properties of [1,4]dioxino[2,3-e]indol-8-one?
[1,4]dioxino[2,3-e]indol-8-one has a molecular weight of 187.15 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4]dioxino[2,3-e]indol-8-one is sourced from PubChem (CID 69189548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).