(1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride

C6H12ClNO — CID 155891448

IUPAC(1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride
SMILESCl.OC1C[C@@H]2NCC[C@@H]12
InChIInChI=1S/C6H11NO.ClH/c8-6-3-5-4(6)1-2-7-5;/h4-8H,1-3H2;1H/t4-,5+,6?;/m1./s1
InChIKeyMTAGMASLRLYPTF-OPYDDUKUSA-N
MW149.62 g/mol
LogP0.15
Rot. Bonds

About (1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride

(1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride (PubChem CID 155891448) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is (1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride.

Molecular Properties

Compound Name(1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride
PubChem CID155891448
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name(1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride
SMILESCl.OC1C[C@@H]2NCC[C@@H]12
InChIInChI=1S/C6H11NO.ClH/c8-6-3-5-4(6)1-2-7-5;/h4-8H,1-3H2;1H/t4-,5+,6?;/m1./s1
InChIKeyMTAGMASLRLYPTF-OPYDDUKUSA-N
XLogP0.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride?
The IUPAC name of (1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride (CID 155891448) is (1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride.
What is the SMILES notation for (1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride?
The canonical SMILES for (1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride is Cl.OC1C[C@@H]2NCC[C@@H]12.
What is the InChIKey of (1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride?
The InChIKey is MTAGMASLRLYPTF-OPYDDUKUSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c8-6-3-5-4(6)1-2-7-5;/h4-8H,1-3H2;1H/t4-,5+,6?;/m1./s1.
What are the key properties of (1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride?
(1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride is sourced from PubChem (CID 155891448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).