(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3-methylimidazol-4-yl)methanone

C14H21N3O — CID 171937513

IUPAC(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3-methylimidazol-4-yl)methanone
SMILESCN1C2CCCC1CC(C(=O)c1cncn1C)C2
InChIInChI=1S/C14H21N3O/c1-16-9-15-8-13(16)14(18)10-6-11-4-3-5-12(7-10)17(11)2/h8-12H,3-7H2,1-2H3
InChIKeyNVMWKOYDLDPSNZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.87
Rot. Bonds2

About (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3-methylimidazol-4-yl)methanone

(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3-methylimidazol-4-yl)methanone (PubChem CID 171937513) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3-methylimidazol-4-yl)methanone
PubChem CID171937513
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3-methylimidazol-4-yl)methanone
SMILESCN1C2CCCC1CC(C(=O)c1cncn1C)C2
InChIInChI=1S/C14H21N3O/c1-16-9-15-8-13(16)14(18)10-6-11-4-3-5-12(7-10)17(11)2/h8-12H,3-7H2,1-2H3
InChIKeyNVMWKOYDLDPSNZ-UHFFFAOYSA-N
XLogP1.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3-methylimidazol-4-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3-methylimidazol-4-yl)methanone?
The IUPAC name of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3-methylimidazol-4-yl)methanone (CID 171937513) is (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3-methylimidazol-4-yl)methanone is CN1C2CCCC1CC(C(=O)c1cncn1C)C2.
What is the InChIKey of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3-methylimidazol-4-yl)methanone?
The InChIKey is NVMWKOYDLDPSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16-9-15-8-13(16)14(18)10-6-11-4-3-5-12(7-10)17(11)2/h8-12H,3-7H2,1-2H3.
What are the key properties of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3-methylimidazol-4-yl)methanone?
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3-methylimidazol-4-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 171937513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).