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

C6H11NO — CID 141345236

IUPAC[(1S,3R,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methanol
SMILESOC[C@H]1C[C@@H]2C[C@@H]2N1
InChIInChI=1S/C6H11NO/c8-3-5-1-4-2-6(4)7-5/h4-8H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyATOUVICHTLDTFN-PBXRRBTRSA-N
MW113.16 g/mol
LogP-0.27
Rot. Bonds1

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

[(1S,3R,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methanol (PubChem CID 141345236) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is [(1S,3R,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methanol.

Molecular Properties

Compound Name[(1S,3R,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methanol
PubChem CID141345236
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name[(1S,3R,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methanol
SMILESOC[C@H]1C[C@@H]2C[C@@H]2N1
InChIInChI=1S/C6H11NO/c8-3-5-1-4-2-6(4)7-5/h4-8H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyATOUVICHTLDTFN-PBXRRBTRSA-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

[(2R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol
CID 11073520
propan-2-yl 2-(2-azabicyclo[3.1.0]hexan-3-yl)acetate
CID 168985983
N-[[(3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 87261116
3-[[(1S,3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methoxy]propanoic acid
CID 170366864
[4-(aminomethyl)-6-(hydroxymethyl)piperidin-2-yl]methanol
CID 134359902
(2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol
CID 59796283
aziridin-2-ylmethanol
CID 11286436
(1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 134343960
[(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol
CID 89000503
(3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 58594265
(4-methoxy-5-methylsulfanylpyrrolidin-2-yl)methanol
CID 123735895
2-tert-butyl-4,6-bis(hydroxymethyl)piperidin-3-ol
CID 163118409

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methanol?
The IUPAC name of [(1S,3R,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methanol (CID 141345236) is [(1S,3R,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methanol.
What is the SMILES notation for [(1S,3R,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methanol?
The canonical SMILES for [(1S,3R,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methanol is OC[C@H]1C[C@@H]2C[C@@H]2N1.
What is the InChIKey of [(1S,3R,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methanol?
The InChIKey is ATOUVICHTLDTFN-PBXRRBTRSA-N. The full InChI is InChI=1S/C6H11NO/c8-3-5-1-4-2-6(4)7-5/h4-8H,1-3H2/t4-,5-,6+/m1/s1.
What are the key properties of [(1S,3R,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methanol?
[(1S,3R,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methanol 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 [(1S,3R,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methanol is sourced from PubChem (CID 141345236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).