[(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol

C8H15NO — CID 10582877

IUPAC[(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
SMILESCN1[C@H]2CC[C@H](C2)[C@@H]1CO
InChIInChI=1S/C8H15NO/c1-9-7-3-2-6(4-7)8(9)5-10/h6-8,10H,2-5H2,1H3/t6-,7+,8+/m1/s1
InChIKeyQSOYICIXDIUSGQ-CSMHCCOUSA-N
MW141.21 g/mol
LogP0.46
Rot. Bonds1

About [(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol

[(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol (PubChem CID 10582877) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol.

Molecular Properties

Compound Name[(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
PubChem CID10582877
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
SMILESCN1[C@H]2CC[C@H](C2)[C@@H]1CO
InChIInChI=1S/C8H15NO/c1-9-7-3-2-6(4-7)8(9)5-10/h6-8,10H,2-5H2,1H3/t6-,7+,8+/m1/s1
InChIKeyQSOYICIXDIUSGQ-CSMHCCOUSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The IUPAC name of [(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol (CID 10582877) is [(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol.
What is the SMILES notation for [(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The canonical SMILES for [(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol is CN1[C@H]2CC[C@H](C2)[C@@H]1CO.
What is the InChIKey of [(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The InChIKey is QSOYICIXDIUSGQ-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-7-3-2-6(4-7)8(9)5-10/h6-8,10H,2-5H2,1H3/t6-,7+,8+/m1/s1.
What are the key properties of [(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
[(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol has a molecular weight of 141.21 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol is sourced from PubChem (CID 10582877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).