[(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol

C6H11NO — CID 124582700

IUPAC[(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol
SMILESOC[C@@H]1NC[C@H]2C[C@H]21
InChIInChI=1S/C6H11NO/c8-3-6-5-1-4(5)2-7-6/h4-8H,1-3H2/t4-,5-,6+/m1/s1
InChIKeySFEYJTLKTWQWMB-PBXRRBTRSA-N
MW113.16 g/mol
LogP-0.41
Rot. Bonds1

About [(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol

[(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol (PubChem CID 124582700) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is [(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol.

Molecular Properties

Compound Name[(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol
PubChem CID124582700
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name[(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol
SMILESOC[C@@H]1NC[C@H]2C[C@H]21
InChIInChI=1S/C6H11NO/c8-3-6-5-1-4(5)2-7-6/h4-8H,1-3H2/t4-,5-,6+/m1/s1
InChIKeySFEYJTLKTWQWMB-PBXRRBTRSA-N
XLogP-0.41
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 ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride
CID 126969951
[(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
CID 98119965
[(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
CID 94840557
[(1S,3aR,7aS)-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-yl]methanol
CID 67566586
[(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol
CID 89000503
2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten
CID 140623793
3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine
CID 140501526
tert-butyl 2-(3-azabicyclo[3.1.0]hexan-2-ylmethylamino)propanoate
CID 139647579
[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol
CID 136589503
(2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157357410
(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride
CID 51371170
[(2R)-3,4-difluoropyrrolidin-2-yl]methanol
CID 175590240

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol?
The IUPAC name of [(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol (CID 124582700) is [(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol.
What is the SMILES notation for [(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol?
The canonical SMILES for [(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol is OC[C@@H]1NC[C@H]2C[C@H]21.
What is the InChIKey of [(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol?
The InChIKey is SFEYJTLKTWQWMB-PBXRRBTRSA-N. The full InChI is InChI=1S/C6H11NO/c8-3-6-5-1-4(5)2-7-6/h4-8H,1-3H2/t4-,5-,6+/m1/s1.
What are the key properties of [(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol?
[(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol has a molecular weight of 113.16 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol is sourced from PubChem (CID 124582700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).