1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone

C20H24N2O2 — CID 172506143

IUPAC1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCCC1CC2C=CC1N(C(=O)Cc1c[nH]c3ccc(OC)cc13)C2
InChIInChI=1S/C20H24N2O2/c1-3-14-8-13-4-7-19(14)22(12-13)20(23)9-15-11-21-18-6-5-16(24-2)10-17(15)18/h4-7,10-11,13-14,19,21H,3,8-9,12H2,1-2H3
InChIKeyHLIJLWTZKGDTIU-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.53
Rot. Bonds4

About 1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone

1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone (PubChem CID 172506143) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
PubChem CID172506143
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCCC1CC2C=CC1N(C(=O)Cc1c[nH]c3ccc(OC)cc13)C2
InChIInChI=1S/C20H24N2O2/c1-3-14-8-13-4-7-19(14)22(12-13)20(23)9-15-11-21-18-6-5-16(24-2)10-17(15)18/h4-7,10-11,13-14,19,21H,3,8-9,12H2,1-2H3
InChIKeyHLIJLWTZKGDTIU-UHFFFAOYSA-N
XLogP3.53
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
CID 172506092
1-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 71927732
1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110855888
[2-[2-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)acetyl]-2-azabicyclo[2.2.2]oct-7-en-6-yl]methyl acetate
CID 172506200
1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 119176125
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209629
8-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 136537122
[(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate
CID 96523711
1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110856984
(3S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124687229
2-(5-methoxy-1H-indol-3-yl)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129485500
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone (CID 172506143) is 1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone is CCC1CC2C=CC1N(C(=O)Cc1c[nH]c3ccc(OC)cc13)C2.
What is the InChIKey of 1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is HLIJLWTZKGDTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-14-8-13-4-7-19(14)22(12-13)20(23)9-15-11-21-18-6-5-16(24-2)10-17(15)18/h4-7,10-11,13-14,19,21H,3,8-9,12H2,1-2H3.
What are the key properties of 1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone?
1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 324.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 172506143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).