9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone

C13H19N3O — CID 171937463

IUPAC9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1CC2CCCC(C1)N2
InChIInChI=1S/C13H19N3O/c1-16-6-5-14-13(16)12(17)9-7-10-3-2-4-11(8-9)15-10/h5-6,9-11,15H,2-4,7-8H2,1H3
InChIKeyOLUMCBSSYFYSFL-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.52
Rot. Bonds2

About 9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone

9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone (PubChem CID 171937463) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone
PubChem CID171937463
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1CC2CCCC(C1)N2
InChIInChI=1S/C13H19N3O/c1-16-6-5-14-13(16)12(17)9-7-10-3-2-4-11(8-9)15-10/h5-6,9-11,15H,2-4,7-8H2,1H3
InChIKeyOLUMCBSSYFYSFL-UHFFFAOYSA-N
XLogP1.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone
CID 116575884
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone
CID 116588233
(2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone
CID 60659997
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-(1-methylimidazol-2-yl)methanone
CID 171937465
[4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone
CID 116592298
azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199
9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone
CID 171945520
(2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 107186965
N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269
9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone
CID 171946068
2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one
CID 114972982
9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyridin-3-yl)methanone
CID 171945770

Frequently Asked Questions

What is the IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone?
The IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone (CID 171937463) is 9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for 9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for 9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)C1CC2CCCC(C1)N2.
What is the InChIKey of 9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone?
The InChIKey is OLUMCBSSYFYSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16-6-5-14-13(16)12(17)9-7-10-3-2-4-11(8-9)15-10/h5-6,9-11,15H,2-4,7-8H2,1H3.
What are the key properties of 9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone?
9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 171937463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).