(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol

C7H13NO — CID 139364909

IUPAC(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol
SMILESCN1C[C@@H]2C[C@H]1C[C@@H]2O
InChIInChI=1S/C7H13NO/c1-8-4-5-2-6(8)3-7(5)9/h5-7,9H,2-4H2,1H3/t5-,6-,7-/m0/s1
InChIKeyPRVOEBBWUOHTCK-ACZMJKKPSA-N
MW127.19 g/mol
LogP0.07
Rot. Bonds

About (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol

(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol (PubChem CID 139364909) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol.

Molecular Properties

Compound Name(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol
PubChem CID139364909
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol
SMILESCN1C[C@@H]2C[C@H]1C[C@@H]2O
InChIInChI=1S/C7H13NO/c1-8-4-5-2-6(8)3-7(5)9/h5-7,9H,2-4H2,1H3/t5-,6-,7-/m0/s1
InChIKeyPRVOEBBWUOHTCK-ACZMJKKPSA-N
XLogP0.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol?
The IUPAC name of (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol (CID 139364909) is (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol.
What is the SMILES notation for (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol?
The canonical SMILES for (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol is CN1C[C@@H]2C[C@H]1C[C@@H]2O.
What is the InChIKey of (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol?
The InChIKey is PRVOEBBWUOHTCK-ACZMJKKPSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-4-5-2-6(8)3-7(5)9/h5-7,9H,2-4H2,1H3/t5-,6-,7-/m0/s1.
What are the key properties of (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol?
(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol has a molecular weight of 127.19 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol is sourced from PubChem (CID 139364909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).