7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone

C11H15N3O — CID 116575884

IUPAC7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1CC2CCC1N2
InChIInChI=1S/C11H15N3O/c1-14-5-4-12-11(14)10(15)8-6-7-2-3-9(8)13-7/h4-5,7-9,13H,2-3,6H2,1H3
InChIKeyCSBJEBIYASYAHC-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.74
Rot. Bonds2

About 7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone

7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone (PubChem CID 116575884) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone
PubChem CID116575884
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1CC2CCC1N2
InChIInChI=1S/C11H15N3O/c1-14-5-4-12-11(14)10(15)8-6-7-2-3-9(8)13-7/h4-5,7-9,13H,2-3,6H2,1H3
InChIKeyCSBJEBIYASYAHC-UHFFFAOYSA-N
XLogP0.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone
CID 60659997
9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone
CID 171937463
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone
CID 116588233
1,4-dithian-2-yl-(1-methylimidazol-2-yl)methanone
CID 79971152
7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone
CID 116575868
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone
CID 116588362
7-azabicyclo[2.2.1]heptan-2-yl-(3,4-dimethoxyphenyl)methanone
CID 116575997
7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone
CID 116576133
(2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 107186965
[4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone
CID 116592298
N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269
[4-(ethylamino)oxolan-3-yl]-(1-methylimidazol-2-yl)methanone
CID 116587952

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone?
The IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone (CID 116575884) is 7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for 7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)C1CC2CCC1N2.
What is the InChIKey of 7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone?
The InChIKey is CSBJEBIYASYAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-14-5-4-12-11(14)10(15)8-6-7-2-3-9(8)13-7/h4-5,7-9,13H,2-3,6H2,1H3.
What are the key properties of 7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone?
7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone has a molecular weight of 205.26 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 116575884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).