6-[(1S,8aR)-1,2,3,5,6,8a-hexahydroindolizin-1-yl]-1H-indole

C16H18N2 — CID 91320547

IUPAC6-[(1S,8aR)-1,2,3,5,6,8a-hexahydroindolizin-1-yl]-1H-indole
SMILESC1=C[C@@H]2[C@H](c3ccc4cc[nH]c4c3)CCN2CC1
InChIInChI=1S/C16H18N2/c1-2-9-18-10-7-14(16(18)3-1)13-5-4-12-6-8-17-15(12)11-13/h1,3-6,8,11,14,16-17H,2,7,9-10H2/t14-,16+/m0/s1
InChIKeyJOADJVIEZHXNDC-GOEBONIOSA-N
MW238.33 g/mol
LogP3.29
Rot. Bonds1

About 6-[(1S,8aR)-1,2,3,5,6,8a-hexahydroindolizin-1-yl]-1H-indole

6-[(1S,8aR)-1,2,3,5,6,8a-hexahydroindolizin-1-yl]-1H-indole (PubChem CID 91320547) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-[(1S,8aR)-1,2,3,5,6,8a-hexahydroindolizin-1-yl]-1H-indole.

Molecular Properties

Compound Name6-[(1S,8aR)-1,2,3,5,6,8a-hexahydroindolizin-1-yl]-1H-indole
PubChem CID91320547
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name6-[(1S,8aR)-1,2,3,5,6,8a-hexahydroindolizin-1-yl]-1H-indole
SMILESC1=C[C@@H]2[C@H](c3ccc4cc[nH]c4c3)CCN2CC1
InChIInChI=1S/C16H18N2/c1-2-9-18-10-7-14(16(18)3-1)13-5-4-12-6-8-17-15(12)11-13/h1,3-6,8,11,14,16-17H,2,7,9-10H2/t14-,16+/m0/s1
InChIKeyJOADJVIEZHXNDC-GOEBONIOSA-N
XLogP3.29
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-pyrrolidin-3-yl-1H-indole
CID 82602367
[4-(1H-indol-5-yl)-1-methylpiperidin-3-yl]methanamine
CID 82622288
3-chlorocyclohexene;6-cyclohex-2-en-1-yl-1H-indole;1H-indol-6-ylboronic acid
CID 161221557
6-[(2R)-piperazin-2-yl]-1H-indole;hydrochloride
CID 171194380
6-[(2S)-piperazin-2-yl]-1H-indole;hydrochloride
CID 171193744
N-[5-(1H-indol-6-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 77302145
N-cyclohexyl-1H-indol-6-amine
CID 139269794
(1S,5R,6S)-3-benzyl-6-(1H-indol-6-yl)-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 155882860
3-(1H-indol-6-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]piperidine-1-carbaldehyde
CID 171774232
N-(1H-indol-5-ylmethyl)cyclooctanamine
CID 102909214
4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 69001139
6-(azetidin-3-yloxy)-1H-indole
CID 84661437

Frequently Asked Questions

What is the IUPAC name of 6-[(1S,8aR)-1,2,3,5,6,8a-hexahydroindolizin-1-yl]-1H-indole?
The IUPAC name of 6-[(1S,8aR)-1,2,3,5,6,8a-hexahydroindolizin-1-yl]-1H-indole (CID 91320547) is 6-[(1S,8aR)-1,2,3,5,6,8a-hexahydroindolizin-1-yl]-1H-indole.
What is the SMILES notation for 6-[(1S,8aR)-1,2,3,5,6,8a-hexahydroindolizin-1-yl]-1H-indole?
The canonical SMILES for 6-[(1S,8aR)-1,2,3,5,6,8a-hexahydroindolizin-1-yl]-1H-indole is C1=C[C@@H]2[C@H](c3ccc4cc[nH]c4c3)CCN2CC1.
What is the InChIKey of 6-[(1S,8aR)-1,2,3,5,6,8a-hexahydroindolizin-1-yl]-1H-indole?
The InChIKey is JOADJVIEZHXNDC-GOEBONIOSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-9-18-10-7-14(16(18)3-1)13-5-4-12-6-8-17-15(12)11-13/h1,3-6,8,11,14,16-17H,2,7,9-10H2/t14-,16+/m0/s1.
What are the key properties of 6-[(1S,8aR)-1,2,3,5,6,8a-hexahydroindolizin-1-yl]-1H-indole?
6-[(1S,8aR)-1,2,3,5,6,8a-hexahydroindolizin-1-yl]-1H-indole has a molecular weight of 238.33 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,8aR)-1,2,3,5,6,8a-hexahydroindolizin-1-yl]-1H-indole is sourced from PubChem (CID 91320547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).