2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole

C9H15N3 — CID 131137791

IUPAC2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole
SMILESCC1(C)CCN(c2ncc[nH]2)C1
InChIInChI=1S/C9H15N3/c1-9(2)3-6-12(7-9)8-10-4-5-11-8/h4-5H,3,6-7H2,1-2H3,(H,10,11)
InChIKeyAERDBMYUVHZILI-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.65
Rot. Bonds1

About 2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole

2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole (PubChem CID 131137791) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole
PubChem CID131137791
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole
SMILESCC1(C)CCN(c2ncc[nH]2)C1
InChIInChI=1S/C9H15N3/c1-9(2)3-6-12(7-9)8-10-4-5-11-8/h4-5H,3,6-7H2,1-2H3,(H,10,11)
InChIKeyAERDBMYUVHZILI-UHFFFAOYSA-N
XLogP1.65
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole?
The IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole (CID 131137791) is 2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole.
What is the SMILES notation for 2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole?
The canonical SMILES for 2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole is CC1(C)CCN(c2ncc[nH]2)C1.
What is the InChIKey of 2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole?
The InChIKey is AERDBMYUVHZILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-9(2)3-6-12(7-9)8-10-4-5-11-8/h4-5H,3,6-7H2,1-2H3,(H,10,11).
What are the key properties of 2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole?
2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole has a molecular weight of 165.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole is sourced from PubChem (CID 131137791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).