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

C16H21NO2 — CID 82184556

IUPAC8-cyclohexyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole
SMILESc1c2c(cc3c1OCCO3)C(C1CCCCC1)CN2
InChIInChI=1S/C16H21NO2/c1-2-4-11(5-3-1)13-10-17-14-9-16-15(8-12(13)14)18-6-7-19-16/h8-9,11,13,17H,1-7,10H2
InChIKeyWFPHBHYAFWPXFM-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.55
Rot. Bonds1

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

8-cyclohexyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole (PubChem CID 82184556) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 8-cyclohexyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole.

Molecular Properties

Compound Name8-cyclohexyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole
PubChem CID82184556
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name8-cyclohexyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole
SMILESc1c2c(cc3c1OCCO3)C(C1CCCCC1)CN2
InChIInChI=1S/C16H21NO2/c1-2-4-11(5-3-1)13-10-17-14-9-16-15(8-12(13)14)18-6-7-19-16/h8-9,11,13,17H,1-7,10H2
InChIKeyWFPHBHYAFWPXFM-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.55
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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Related Compounds

5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole
CID 106986337
6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
CID 82156654
2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 82276242
2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 123714263
3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole
CID 106985758
6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
CID 83488305
(8S)-8-cyclohexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
CID 99987323
7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine
CID 82276010
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387275
6-fluoro-3-piperidin-4-yl-2,3-dihydro-1H-indole
CID 105475984
7-methyl-6-(2-methylpropyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
CID 82156575
3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol
CID 62736373

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole?
The IUPAC name of 8-cyclohexyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole (CID 82184556) is 8-cyclohexyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole.
What is the SMILES notation for 8-cyclohexyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole?
The canonical SMILES for 8-cyclohexyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole is c1c2c(cc3c1OCCO3)C(C1CCCCC1)CN2.
What is the InChIKey of 8-cyclohexyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole?
The InChIKey is WFPHBHYAFWPXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-4-11(5-3-1)13-10-17-14-9-16-15(8-12(13)14)18-6-7-19-16/h8-9,11,13,17H,1-7,10H2.
What are the key properties of 8-cyclohexyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole?
8-cyclohexyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole has a molecular weight of 259.35 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole is sourced from PubChem (CID 82184556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).