2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine

C21H23N3O — CID 58415960

IUPAC2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine
SMILES[H]/N=C(/Cc1ccc2[nH]cc(C3CN4CCC3CC4)c2c1)c1ccco1
InChIInChI=1S/C21H23N3O/c22-19(21-2-1-9-25-21)11-14-3-4-20-16(10-14)17(12-23-20)18-13-24-7-5-15(18)6-8-24/h1-4,9-10,12,15,18,22-23H,5-8,11,13H2/b22-19-
InChIKeyKMXOBHRXLQPVOS-QOCHGBHMSA-N
MW333.44 g/mol
LogP4.18
Rot. Bonds4

About 2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine

2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine (PubChem CID 58415960) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine.

Molecular Properties

Compound Name2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine
PubChem CID58415960
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine
SMILES[H]/N=C(/Cc1ccc2[nH]cc(C3CN4CCC3CC4)c2c1)c1ccco1
InChIInChI=1S/C21H23N3O/c22-19(21-2-1-9-25-21)11-14-3-4-20-16(10-14)17(12-23-20)18-13-24-7-5-15(18)6-8-24/h1-4,9-10,12,15,18,22-23H,5-8,11,13H2/b22-19-
InChIKeyKMXOBHRXLQPVOS-QOCHGBHMSA-N
XLogP4.18
TPSA56.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine with MolForge

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Related Compounds

(3Z)-5-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 16731836
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indole-2,3-dione
CID 23647542
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(furan-2-yl)isoquinoline
CID 23647585
3-(furan-3-yl)-1H-indole
CID 10607518
(3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(furan-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 11751896
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(5-methylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647568
3-[4-(4-Chroman-6-yl-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
CID 10410574
6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-(furan-3-yl)-1H-indole
CID 10542381
3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11750460
(S)-5-(5-(2-amino-3-phenylpropoxy)pyridin-3-yl)-3-(furan-2-ylmethylene)indolin-2-one
CID 16731987
8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one
CID 11501108
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(cyclopropylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23647556

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine?
The IUPAC name of 2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine (CID 58415960) is 2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine.
What is the SMILES notation for 2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine?
The canonical SMILES for 2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine is [H]/N=C(/Cc1ccc2[nH]cc(C3CN4CCC3CC4)c2c1)c1ccco1.
What is the InChIKey of 2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine?
The InChIKey is KMXOBHRXLQPVOS-QOCHGBHMSA-N. The full InChI is InChI=1S/C21H23N3O/c22-19(21-2-1-9-25-21)11-14-3-4-20-16(10-14)17(12-23-20)18-13-24-7-5-15(18)6-8-24/h1-4,9-10,12,15,18,22-23H,5-8,11,13H2/b22-19-.
What are the key properties of 2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine?
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine has a molecular weight of 333.44 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine is sourced from PubChem (CID 58415960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).