6-azabicyclo[3.1.1]heptan-3-ol

C6H11NO — CID 89300463

IUPAC6-azabicyclo[3.1.1]heptan-3-ol
SMILESOC1CC2CC(C1)N2
InChIInChI=1S/C6H11NO/c8-6-2-4-1-5(3-6)7-4/h4-8H,1-3H2
InChIKeyYKSRBRUDFMOMNT-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.13
Rot. Bonds

About 6-azabicyclo[3.1.1]heptan-3-ol

6-azabicyclo[3.1.1]heptan-3-ol (PubChem CID 89300463) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 6-azabicyclo[3.1.1]heptan-3-ol.

Molecular Properties

Compound Name6-azabicyclo[3.1.1]heptan-3-ol
PubChem CID89300463
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name6-azabicyclo[3.1.1]heptan-3-ol
SMILESOC1CC2CC(C1)N2
InChIInChI=1S/C6H11NO/c8-6-2-4-1-5(3-6)7-4/h4-8H,1-3H2
InChIKeyYKSRBRUDFMOMNT-UHFFFAOYSA-N
XLogP-0.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-azabicyclo[3.1.1]heptan-3-ol 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 6-azabicyclo[3.1.1]heptan-3-ol?
The IUPAC name of 6-azabicyclo[3.1.1]heptan-3-ol (CID 89300463) is 6-azabicyclo[3.1.1]heptan-3-ol.
What is the SMILES notation for 6-azabicyclo[3.1.1]heptan-3-ol?
The canonical SMILES for 6-azabicyclo[3.1.1]heptan-3-ol is OC1CC2CC(C1)N2.
What is the InChIKey of 6-azabicyclo[3.1.1]heptan-3-ol?
The InChIKey is YKSRBRUDFMOMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c8-6-2-4-1-5(3-6)7-4/h4-8H,1-3H2.
What are the key properties of 6-azabicyclo[3.1.1]heptan-3-ol?
6-azabicyclo[3.1.1]heptan-3-ol has a molecular weight of 113.16 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azabicyclo[3.1.1]heptan-3-ol is sourced from PubChem (CID 89300463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).