(3-iodo-3-azabicyclo[3.1.0]hexan-2-yl)methanol

C6H10INO — CID 130255729

IUPAC(3-iodo-3-azabicyclo[3.1.0]hexan-2-yl)methanol
SMILESOCC1C2CC2CN1I
InChIInChI=1S/C6H10INO/c7-8-2-4-1-5(4)6(8)3-9/h4-6,9H,1-3H2
InChIKeyYGLSHJXYUURKSQ-UHFFFAOYSA-N
MW239.06 g/mol
LogP0.65
Rot. Bonds1

About (3-iodo-3-azabicyclo[3.1.0]hexan-2-yl)methanol

(3-iodo-3-azabicyclo[3.1.0]hexan-2-yl)methanol (PubChem CID 130255729) has the molecular formula C6H10INO and a molecular weight of 239.06 g/mol. Its IUPAC name is (3-iodo-3-azabicyclo[3.1.0]hexan-2-yl)methanol.

Molecular Properties

Compound Name(3-iodo-3-azabicyclo[3.1.0]hexan-2-yl)methanol
PubChem CID130255729
Molecular FormulaC6H10INO
Molecular Weight239.06 g/mol
Exact Mass238.98
IUPAC Name(3-iodo-3-azabicyclo[3.1.0]hexan-2-yl)methanol
SMILESOCC1C2CC2CN1I
InChIInChI=1S/C6H10INO/c7-8-2-4-1-5(4)6(8)3-9/h4-6,9H,1-3H2
InChIKeyYGLSHJXYUURKSQ-UHFFFAOYSA-N
XLogP0.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(1R,5S)-2-ethyl-3-iodo-3-azabicyclo[3.1.0]hexane
CID 166840052
tert-butyl (1R,2S)-2-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 169118534
(3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol
CID 67789671
(1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane
CID 164921904
benzyl (2S,5R)-2-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 58908385
(3aS,7aR)-1-ethyl-2-iodo-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 166840055
(1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 126658236
tert-butyl (1R,2R,5S)-2-(bromomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 135396643
[(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol
CID 162940072
2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane
CID 167275781
[3-[[2-(2-methylhydrazinyl)-3-pyridinyl]methylsulfonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol
CID 143465848
[(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 10582877

Frequently Asked Questions

What is the IUPAC name of (3-iodo-3-azabicyclo[3.1.0]hexan-2-yl)methanol?
The IUPAC name of (3-iodo-3-azabicyclo[3.1.0]hexan-2-yl)methanol (CID 130255729) is (3-iodo-3-azabicyclo[3.1.0]hexan-2-yl)methanol.
What is the SMILES notation for (3-iodo-3-azabicyclo[3.1.0]hexan-2-yl)methanol?
The canonical SMILES for (3-iodo-3-azabicyclo[3.1.0]hexan-2-yl)methanol is OCC1C2CC2CN1I.
What is the InChIKey of (3-iodo-3-azabicyclo[3.1.0]hexan-2-yl)methanol?
The InChIKey is YGLSHJXYUURKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO/c7-8-2-4-1-5(4)6(8)3-9/h4-6,9H,1-3H2.
What are the key properties of (3-iodo-3-azabicyclo[3.1.0]hexan-2-yl)methanol?
(3-iodo-3-azabicyclo[3.1.0]hexan-2-yl)methanol has a molecular weight of 239.06 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodo-3-azabicyclo[3.1.0]hexan-2-yl)methanol is sourced from PubChem (CID 130255729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).