2-azabicyclo[2.1.1]hexan-1-ylmethanol

C6H11NO — CID 11366969

IUPAC2-azabicyclo[2.1.1]hexan-1-ylmethanol
SMILESOCC12CC(CN1)C2
InChIInChI=1S/C6H11NO/c8-4-6-1-5(2-6)3-7-6/h5,7-8H,1-4H2
InChIKeyTWQMJAQGXUVGOA-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.27
Rot. Bonds1

About 2-azabicyclo[2.1.1]hexan-1-ylmethanol

2-azabicyclo[2.1.1]hexan-1-ylmethanol (PubChem CID 11366969) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-azabicyclo[2.1.1]hexan-1-ylmethanol.

Molecular Properties

Compound Name2-azabicyclo[2.1.1]hexan-1-ylmethanol
PubChem CID11366969
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-azabicyclo[2.1.1]hexan-1-ylmethanol
SMILESOCC12CC(CN1)C2
InChIInChI=1S/C6H11NO/c8-4-6-1-5(2-6)3-7-6/h5,7-8H,1-4H2
InChIKeyTWQMJAQGXUVGOA-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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Related Compounds

2-Methyl-2-pyrrolidinemethanol
CID 558401
((2S)-2-methylpyrrolidin-2-yl)methanol
CID 14223700
(2-(Hydroxymethyl)pyrrolidin-2-yl)methanol
CID 55287598
((2R)-2-methylpyrrolidin-2-yl)methanol hydrochloride
CID 91825932
1-(Methoxymethyl)-2-azabicyclo[2.1.1]hexane
CID 84647975
{4-Methyl-2-azabicyclo[2.1.1]hexan-1-yl}methanol
CID 154842428
{3-Methyl-2-azabicyclo[2.1.1]hexan-1-yl}methanol hydrochloride
CID 165665572
[4-(Difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol hydrochloride
CID 165818450
((2S,4S)-4-Methylpyrrolidin-2-yl)methanol
CID 67085658
(4-Fluoro-2-azabicyclo[2.1.1]hexan-1-yl)methanol
CID 156704489
(4-(Difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl)methanol
CID 156704494
(1R,4S,5S,6S)-6-fluoro-2-azabicyclo[2.1.1]hexan-5-ol
CID 11480428

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.1.1]hexan-1-ylmethanol?
The IUPAC name of 2-azabicyclo[2.1.1]hexan-1-ylmethanol (CID 11366969) is 2-azabicyclo[2.1.1]hexan-1-ylmethanol.
What is the SMILES notation for 2-azabicyclo[2.1.1]hexan-1-ylmethanol?
The canonical SMILES for 2-azabicyclo[2.1.1]hexan-1-ylmethanol is OCC12CC(CN1)C2.
What is the InChIKey of 2-azabicyclo[2.1.1]hexan-1-ylmethanol?
The InChIKey is TWQMJAQGXUVGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c8-4-6-1-5(2-6)3-7-6/h5,7-8H,1-4H2.
What are the key properties of 2-azabicyclo[2.1.1]hexan-1-ylmethanol?
2-azabicyclo[2.1.1]hexan-1-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-1-ylmethanol is sourced from PubChem (CID 11366969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).