8-azabicyclo[3.2.1]oct-2-en-8-yl-(1-pyridin-2-ylpyrrolidin-2-yl)methanone

C17H21N3O — CID 90627307

IUPAC8-azabicyclo[3.2.1]oct-2-en-8-yl-(1-pyridin-2-ylpyrrolidin-2-yl)methanone
SMILESO=C(C1CCCN1c1ccccn1)N1C2C=CCC1CC2
InChIInChI=1S/C17H21N3O/c21-17(20-13-5-3-6-14(20)10-9-13)15-7-4-12-19(15)16-8-1-2-11-18-16/h1-3,5,8,11,13-15H,4,6-7,9-10,12H2
InChIKeyIGODCXOUQTXXSB-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.37
Rot. Bonds2

About 8-azabicyclo[3.2.1]oct-2-en-8-yl-(1-pyridin-2-ylpyrrolidin-2-yl)methanone

8-azabicyclo[3.2.1]oct-2-en-8-yl-(1-pyridin-2-ylpyrrolidin-2-yl)methanone (PubChem CID 90627307) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]oct-2-en-8-yl-(1-pyridin-2-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]oct-2-en-8-yl-(1-pyridin-2-ylpyrrolidin-2-yl)methanone
PubChem CID90627307
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name8-azabicyclo[3.2.1]oct-2-en-8-yl-(1-pyridin-2-ylpyrrolidin-2-yl)methanone
SMILESO=C(C1CCCN1c1ccccn1)N1C2C=CCC1CC2
InChIInChI=1S/C17H21N3O/c21-17(20-13-5-3-6-14(20)10-9-13)15-7-4-12-19(15)16-8-1-2-11-18-16/h1-3,5,8,11,13-15H,4,6-7,9-10,12H2
InChIKeyIGODCXOUQTXXSB-UHFFFAOYSA-N
XLogP2.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 91662065
5-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-4-methoxy-1-pyridin-2-ylpyridin-2-one
CID 90627303
(1-pyridin-2-ylpyrrolidin-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 90627664
1-(1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 84818549
[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 22108305
4-pyridin-2-yl-1,4-diazabicyclo[3.3.2]decane
CID 69315328
1-pyridin-2-ylpiperidine-2-carbaldehyde
CID 62665226
N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
CID 90627328
[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] (2S)-1-pyridin-2-ylpyrrolidine-2-carboxylate
CID 11610926
[(2S)-1-(4-methyl-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 99848877
1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-pyrazol-1-ylethanone
CID 121183428
1-(1-pyridin-2-ylpiperazin-2-yl)ethanone
CID 157170739

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]oct-2-en-8-yl-(1-pyridin-2-ylpyrrolidin-2-yl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]oct-2-en-8-yl-(1-pyridin-2-ylpyrrolidin-2-yl)methanone (CID 90627307) is 8-azabicyclo[3.2.1]oct-2-en-8-yl-(1-pyridin-2-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]oct-2-en-8-yl-(1-pyridin-2-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]oct-2-en-8-yl-(1-pyridin-2-ylpyrrolidin-2-yl)methanone is O=C(C1CCCN1c1ccccn1)N1C2C=CCC1CC2.
What is the InChIKey of 8-azabicyclo[3.2.1]oct-2-en-8-yl-(1-pyridin-2-ylpyrrolidin-2-yl)methanone?
The InChIKey is IGODCXOUQTXXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(20-13-5-3-6-14(20)10-9-13)15-7-4-12-19(15)16-8-1-2-11-18-16/h1-3,5,8,11,13-15H,4,6-7,9-10,12H2.
What are the key properties of 8-azabicyclo[3.2.1]oct-2-en-8-yl-(1-pyridin-2-ylpyrrolidin-2-yl)methanone?
8-azabicyclo[3.2.1]oct-2-en-8-yl-(1-pyridin-2-ylpyrrolidin-2-yl)methanone has a molecular weight of 283.37 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]oct-2-en-8-yl-(1-pyridin-2-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 90627307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).