[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C7H13NO — CID 59540724

IUPAC[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCN1C[C@@H]2C(CO)[C@@H]2C1
InChIInChI=1S/C7H13NO/c1-8-2-5-6(3-8)7(5)4-9/h5-7,9H,2-4H2,1H3/t5-,6+,7?
InChIKeyNBDARIFQUROSPQ-MEKDEQNOSA-N
MW127.19 g/mol
LogP-0.21
Rot. Bonds1

About [(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 59540724) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is [(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID59540724
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCN1C[C@@H]2C(CO)[C@@H]2C1
InChIInChI=1S/C7H13NO/c1-8-2-5-6(3-8)7(5)4-9/h5-7,9H,2-4H2,1H3/t5-,6+,7?
InChIKeyNBDARIFQUROSPQ-MEKDEQNOSA-N
XLogP-0.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 59540724) is [(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol is CN1C[C@@H]2C(CO)[C@@H]2C1.
What is the InChIKey of [(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is NBDARIFQUROSPQ-MEKDEQNOSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-2-5-6(3-8)7(5)4-9/h5-7,9H,2-4H2,1H3/t5-,6+,7?.
What are the key properties of [(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 127.19 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 59540724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).