[3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone

C23H22N2O — CID 20585154

IUPAC[3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2[nH]cc(C3=CCN4CCC[C@@H]4C3)c2c1
InChIInChI=1S/C23H22N2O/c26-23(16-5-2-1-3-6-16)18-8-9-22-20(14-18)21(15-24-22)17-10-12-25-11-4-7-19(25)13-17/h1-3,5-6,8-10,14-15,19,24H,4,7,11-13H2/t19-/m1/s1
InChIKeyRGUXJCJKYOZLEF-LJQANCHMSA-N
MW342.44 g/mol
LogP4.65
Rot. Bonds3

About [3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone

[3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone (PubChem CID 20585154) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is [3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone
PubChem CID20585154
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name[3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2[nH]cc(C3=CCN4CCC[C@@H]4C3)c2c1
InChIInChI=1S/C23H22N2O/c26-23(16-5-2-1-3-6-16)18-8-9-22-20(14-18)21(15-24-22)17-10-12-25-11-4-7-19(25)13-17/h1-3,5-6,8-10,14-15,19,24H,4,7,11-13H2/t19-/m1/s1
InChIKeyRGUXJCJKYOZLEF-LJQANCHMSA-N
XLogP4.65
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide
CID 15389763
3-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-1,1-diphenylthiourea
CID 57305851
3-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-1-butyl-1-phenylurea
CID 54394024
N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide
CID 54246048
[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1-aminoindol-5-yl]-(2-chlorophenyl)methanone
CID 67669531
N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide
CID 67570935
1-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-3-(2,4-diiodophenyl)thiourea
CID 54427163
3-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,1-dipropylurea
CID 67570374
[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-2-amino-1-benzofuran-5-yl]-(3-hexoxyphenyl)methanone
CID 67671153
ethane;3-[1-(4-methyl-4-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol
CID 142894041
5-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 15546220
N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride
CID 67923514

Frequently Asked Questions

What is the IUPAC name of [3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone?
The IUPAC name of [3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone (CID 20585154) is [3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone.
What is the SMILES notation for [3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone?
The canonical SMILES for [3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone is O=C(c1ccccc1)c1ccc2[nH]cc(C3=CCN4CCC[C@@H]4C3)c2c1.
What is the InChIKey of [3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone?
The InChIKey is RGUXJCJKYOZLEF-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22N2O/c26-23(16-5-2-1-3-6-16)18-8-9-22-20(14-18)21(15-24-22)17-10-12-25-11-4-7-19(25)13-17/h1-3,5-6,8-10,14-15,19,24H,4,7,11-13H2/t19-/m1/s1.
What are the key properties of [3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone?
[3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone has a molecular weight of 342.44 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone is sourced from PubChem (CID 20585154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).