8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one

C12H14N2O3 — CID 114993838

IUPAC8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
SMILESCCNC1C(=O)Nc2cc3c(cc21)OCCO3
InChIInChI=1S/C12H14N2O3/c1-2-13-11-7-5-9-10(17-4-3-16-9)6-8(7)14-12(11)15/h5-6,11,13H,2-4H2,1H3,(H,14,15)
InChIKeyGQYQQGXXHIWRKH-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.06
Rot. Bonds2

About 8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one

8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one (PubChem CID 114993838) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one.

Molecular Properties

Compound Name8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
PubChem CID114993838
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
SMILESCCNC1C(=O)Nc2cc3c(cc21)OCCO3
InChIInChI=1S/C12H14N2O3/c1-2-13-11-7-5-9-10(17-4-3-16-9)6-8(7)14-12(11)15/h5-6,11,13H,2-4H2,1H3,(H,14,15)
InChIKeyGQYQQGXXHIWRKH-UHFFFAOYSA-N
XLogP1.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(ethylamino)-5,6-difluoro-1,3-dihydroindol-2-one
CID 82235271
8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
CID 82184552
5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one
CID 79336270
3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one
CID 63369981
5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 79343711
5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one
CID 79336412
5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one
CID 79349890
5-bromo-3-(ethylamino)-6-[methyl(3-methylbutyl)amino]-1,3-dihydroindol-2-one
CID 79343258
5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79342117
3-(ethylamino)-6-(oxetan-3-yloxy)-1,3-dihydroindol-2-one
CID 102606606
5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79349532
3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43586798

Frequently Asked Questions

What is the IUPAC name of 8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one?
The IUPAC name of 8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one (CID 114993838) is 8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one.
What is the SMILES notation for 8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one?
The canonical SMILES for 8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one is CCNC1C(=O)Nc2cc3c(cc21)OCCO3.
What is the InChIKey of 8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one?
The InChIKey is GQYQQGXXHIWRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-13-11-7-5-9-10(17-4-3-16-9)6-8(7)14-12(11)15/h5-6,11,13H,2-4H2,1H3,(H,14,15).
What are the key properties of 8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one?
8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one has a molecular weight of 234.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one is sourced from PubChem (CID 114993838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).