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

C12H19N3O — CID 171951752

IUPAC3-(3-methylimidazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCn1cncc1C1(O)CC2CCCC(C1)N2
InChIInChI=1S/C12H19N3O/c1-15-8-13-7-11(15)12(16)5-9-3-2-4-10(6-12)14-9/h7-10,14,16H,2-6H2,1H3
InChIKeyRKUTYHOQXPHIQB-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.91
Rot. Bonds1

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

3-(3-methylimidazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171951752) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(3-methylimidazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(3-methylimidazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171951752
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(3-methylimidazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCn1cncc1C1(O)CC2CCCC(C1)N2
InChIInChI=1S/C12H19N3O/c1-15-8-13-7-11(15)12(16)5-9-3-2-4-10(6-12)14-9/h7-10,14,16H,2-6H2,1H3
InChIKeyRKUTYHOQXPHIQB-UHFFFAOYSA-N
XLogP0.91
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylimidazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(3-methylimidazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171951752) is 3-(3-methylimidazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(3-methylimidazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(3-methylimidazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol is Cn1cncc1C1(O)CC2CCCC(C1)N2.
What is the InChIKey of 3-(3-methylimidazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is RKUTYHOQXPHIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-8-13-7-11(15)12(16)5-9-3-2-4-10(6-12)14-9/h7-10,14,16H,2-6H2,1H3.
What are the key properties of 3-(3-methylimidazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(3-methylimidazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 221.30 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171951752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).