3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

C11H17N3O — CID 43811462

IUPAC3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCn1ccnc1C1(O)CC2CCC(C1)N2
InChIInChI=1S/C11H17N3O/c1-14-5-4-12-10(14)11(15)6-8-2-3-9(7-11)13-8/h4-5,8-9,13,15H,2-3,6-7H2,1H3
InChIKeyBCLBCDMFOUQYCN-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.52
Rot. Bonds1

About 3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 43811462) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID43811462
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCn1ccnc1C1(O)CC2CCC(C1)N2
InChIInChI=1S/C11H17N3O/c1-14-5-4-12-10(14)11(15)6-8-2-3-9(7-11)13-8/h4-5,8-9,13,15H,2-3,6-7H2,1H3
InChIKeyBCLBCDMFOUQYCN-UHFFFAOYSA-N
XLogP0.52
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 43811462) is 3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is Cn1ccnc1C1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is BCLBCDMFOUQYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-5-4-12-10(14)11(15)6-8-2-3-9(7-11)13-8/h4-5,8-9,13,15H,2-3,6-7H2,1H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 207.28 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 43811462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).