8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one

C13H15NO3 — CID 82184552

IUPAC8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
SMILESCC(C)C1C(=O)Nc2cc3c(cc21)OCCO3
InChIInChI=1S/C13H15NO3/c1-7(2)12-8-5-10-11(17-4-3-16-10)6-9(8)14-13(12)15/h5-7,12H,3-4H2,1-2H3,(H,14,15)
InChIKeyFKWYBOFJBQHOHR-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.15
Rot. Bonds1

About 8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one

8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one (PubChem CID 82184552) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one.

Molecular Properties

Compound Name8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
PubChem CID82184552
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
SMILESCC(C)C1C(=O)Nc2cc3c(cc21)OCCO3
InChIInChI=1S/C13H15NO3/c1-7(2)12-8-5-10-11(17-4-3-16-10)6-9(8)14-13(12)15/h5-7,12H,3-4H2,1-2H3,(H,14,15)
InChIKeyFKWYBOFJBQHOHR-UHFFFAOYSA-N
XLogP2.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one with MolForge

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Related Compounds

8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
CID 114993838
9-(4-propan-2-ylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 4078264
7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one
CID 82491055
7-(aminomethyl)-3,9-dihydro-2H-[1,4]dioxino[2,3-g][1,4]benzoxazin-8-one
CID 82231728
(9R)-9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1250110
3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one
CID 20927230
7-propan-2-yl-2-pyridin-4-yl-5,7-dihydropyrrolo[3,2-f][1,3]benzoxazol-6-one
CID 19992367
9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2984139
2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 123714263
(9S)-9-(4-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 7263181
N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)propanamide
CID 110406025
7-piperazin-1-yl-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one
CID 82500785

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one?
The IUPAC name of 8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one (CID 82184552) is 8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one.
What is the SMILES notation for 8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one?
The canonical SMILES for 8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one is CC(C)C1C(=O)Nc2cc3c(cc21)OCCO3.
What is the InChIKey of 8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one?
The InChIKey is FKWYBOFJBQHOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-7(2)12-8-5-10-11(17-4-3-16-10)6-9(8)14-13(12)15/h5-7,12H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one?
8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one has a molecular weight of 233.27 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one is sourced from PubChem (CID 82184552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).