2-azabicyclo[2.1.1]hexan-5-ol

C5H9NO — CID 171035726

IUPAC2-azabicyclo[2.1.1]hexan-5-ol
SMILESOC1C2CNC1C2
InChIInChI=1S/C5H9NO/c7-5-3-1-4(5)6-2-3/h3-7H,1-2H2
InChIKeyDUKZGZJHUFESDP-UHFFFAOYSA-N
MW99.13 g/mol
LogP-0.66
Rot. Bonds

About 2-azabicyclo[2.1.1]hexan-5-ol

2-azabicyclo[2.1.1]hexan-5-ol (PubChem CID 171035726) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-azabicyclo[2.1.1]hexan-5-ol.

Molecular Properties

Compound Name2-azabicyclo[2.1.1]hexan-5-ol
PubChem CID171035726
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-azabicyclo[2.1.1]hexan-5-ol
SMILESOC1C2CNC1C2
InChIInChI=1S/C5H9NO/c7-5-3-1-4(5)6-2-3/h3-7H,1-2H2
InChIKeyDUKZGZJHUFESDP-UHFFFAOYSA-N
XLogP-0.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.1.1]hexan-5-ol?
The IUPAC name of 2-azabicyclo[2.1.1]hexan-5-ol (CID 171035726) is 2-azabicyclo[2.1.1]hexan-5-ol.
What is the SMILES notation for 2-azabicyclo[2.1.1]hexan-5-ol?
The canonical SMILES for 2-azabicyclo[2.1.1]hexan-5-ol is OC1C2CNC1C2.
What is the InChIKey of 2-azabicyclo[2.1.1]hexan-5-ol?
The InChIKey is DUKZGZJHUFESDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c7-5-3-1-4(5)6-2-3/h3-7H,1-2H2.
What are the key properties of 2-azabicyclo[2.1.1]hexan-5-ol?
2-azabicyclo[2.1.1]hexan-5-ol has a molecular weight of 99.13 g/mol, XLogP of -0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.1.1]hexan-5-ol is sourced from PubChem (CID 171035726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).