2-azabicyclo[2.1.1]hexan-4-ylmethanol

C6H11NO — CID 142556931

IUPAC2-azabicyclo[2.1.1]hexan-4-ylmethanol
SMILESOCC12CNC(C1)C2
InChIInChI=1S/C6H11NO/c8-4-6-1-5(2-6)7-3-6/h5,7-8H,1-4H2
InChIKeyIXXBUEAWNGTYSS-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.27
Rot. Bonds1

About 2-azabicyclo[2.1.1]hexan-4-ylmethanol

2-azabicyclo[2.1.1]hexan-4-ylmethanol (PubChem CID 142556931) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-azabicyclo[2.1.1]hexan-4-ylmethanol.

Molecular Properties

Compound Name2-azabicyclo[2.1.1]hexan-4-ylmethanol
PubChem CID142556931
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-azabicyclo[2.1.1]hexan-4-ylmethanol
SMILESOCC12CNC(C1)C2
InChIInChI=1S/C6H11NO/c8-4-6-1-5(2-6)7-3-6/h5,7-8H,1-4H2
InChIKeyIXXBUEAWNGTYSS-UHFFFAOYSA-N
XLogP-0.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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[2.1.1]hexan-4-ylmethanol?
The IUPAC name of 2-azabicyclo[2.1.1]hexan-4-ylmethanol (CID 142556931) is 2-azabicyclo[2.1.1]hexan-4-ylmethanol.
What is the SMILES notation for 2-azabicyclo[2.1.1]hexan-4-ylmethanol?
The canonical SMILES for 2-azabicyclo[2.1.1]hexan-4-ylmethanol is OCC12CNC(C1)C2.
What is the InChIKey of 2-azabicyclo[2.1.1]hexan-4-ylmethanol?
The InChIKey is IXXBUEAWNGTYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c8-4-6-1-5(2-6)7-3-6/h5,7-8H,1-4H2.
What are the key properties of 2-azabicyclo[2.1.1]hexan-4-ylmethanol?
2-azabicyclo[2.1.1]hexan-4-ylmethanol has a molecular weight of 113.16 g/mol, XLogP of -0.27, 1 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-4-ylmethanol is sourced from PubChem (CID 142556931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).