2-azabicyclo[3.2.0]heptan-7-ol

C6H11NO — CID 90023879

IUPAC2-azabicyclo[3.2.0]heptan-7-ol
SMILESOC1CC2CCNC12
InChIInChI=1S/C6H11NO/c8-5-3-4-1-2-7-6(4)5/h4-8H,1-3H2
InChIKeySJSPDBIMMXMBDV-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.27
Rot. Bonds

About 2-azabicyclo[3.2.0]heptan-7-ol

2-azabicyclo[3.2.0]heptan-7-ol (PubChem CID 90023879) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-azabicyclo[3.2.0]heptan-7-ol.

Molecular Properties

Compound Name2-azabicyclo[3.2.0]heptan-7-ol
PubChem CID90023879
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-azabicyclo[3.2.0]heptan-7-ol
SMILESOC1CC2CCNC12
InChIInChI=1S/C6H11NO/c8-5-3-4-1-2-7-6(4)5/h4-8H,1-3H2
InChIKeySJSPDBIMMXMBDV-UHFFFAOYSA-N
XLogP-0.27
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 ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[3.2.0]heptan-7-ol?
The IUPAC name of 2-azabicyclo[3.2.0]heptan-7-ol (CID 90023879) is 2-azabicyclo[3.2.0]heptan-7-ol.
What is the SMILES notation for 2-azabicyclo[3.2.0]heptan-7-ol?
The canonical SMILES for 2-azabicyclo[3.2.0]heptan-7-ol is OC1CC2CCNC12.
What is the InChIKey of 2-azabicyclo[3.2.0]heptan-7-ol?
The InChIKey is SJSPDBIMMXMBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c8-5-3-4-1-2-7-6(4)5/h4-8H,1-3H2.
What are the key properties of 2-azabicyclo[3.2.0]heptan-7-ol?
2-azabicyclo[3.2.0]heptan-7-ol has a molecular weight of 113.16 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[3.2.0]heptan-7-ol is sourced from PubChem (CID 90023879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).