2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole

C13H16N2 — CID 15192091

IUPAC2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole
SMILESc1ccc2c3c([nH]c2c1)CCNCCC3
InChIInChI=1S/C13H16N2/c1-2-6-12-10(4-1)11-5-3-8-14-9-7-13(11)15-12/h1-2,4,6,14-15H,3,5,7-9H2
InChIKeySMGXJDJBXXEYSU-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.25
Rot. Bonds

About 2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole

2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole (PubChem CID 15192091) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole.

Molecular Properties

Compound Name2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole
PubChem CID15192091
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole
SMILESc1ccc2c3c([nH]c2c1)CCNCCC3
InChIInChI=1S/C13H16N2/c1-2-6-12-10(4-1)11-5-3-8-14-9-7-13(11)15-12/h1-2,4,6,14-15H,3,5,7-9H2
InChIKeySMGXJDJBXXEYSU-UHFFFAOYSA-N
XLogP2.25
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole
CID 162302713
ethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole
CID 142960260
ethane;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 158166358
cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride
CID 67693209
1H-indole;2,3,4,9-tetrahydro-1H-carbazole
CID 161045949
2-methyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole;molecular hydrogen
CID 143420706
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium
CID 6931422
1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione
CID 686232
8-fluoro-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
CID 22396704
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
CID 118402613
2,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium iodide
CID 2752150
(Z)-N-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]-2,3,4,9-tetrahydrocarbazol-1-imine
CID 135400598

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole?
The IUPAC name of 2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole (CID 15192091) is 2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole.
What is the SMILES notation for 2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole?
The canonical SMILES for 2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole is c1ccc2c3c([nH]c2c1)CCNCCC3.
What is the InChIKey of 2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole?
The InChIKey is SMGXJDJBXXEYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-6-12-10(4-1)11-5-3-8-14-9-7-13(11)15-12/h1-2,4,6,14-15H,3,5,7-9H2.
What are the key properties of 2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole?
2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole has a molecular weight of 200.28 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole is sourced from PubChem (CID 15192091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).