(1R,4R,5S,6S)-7-azabicyclo[4.2.0]octane-4,5-diol

C7H13NO2 — CID 166000280

IUPAC(1R,4R,5S,6S)-7-azabicyclo[4.2.0]octane-4,5-diol
SMILESO[C@H]1[C@H]2NC[C@H]2CC[C@H]1O
InChIInChI=1S/C7H13NO2/c9-5-2-1-4-3-8-6(4)7(5)10/h4-10H,1-3H2/t4-,5-,6+,7-/m1/s1
InChIKeyRLVFZJPJPTWUHD-MVIOUDGNSA-N
MW143.19 g/mol
LogP-0.91
Rot. Bonds

About (1R,4R,5S,6S)-7-azabicyclo[4.2.0]octane-4,5-diol

(1R,4R,5S,6S)-7-azabicyclo[4.2.0]octane-4,5-diol (PubChem CID 166000280) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (1R,4R,5S,6S)-7-azabicyclo[4.2.0]octane-4,5-diol.

Molecular Properties

Compound Name(1R,4R,5S,6S)-7-azabicyclo[4.2.0]octane-4,5-diol
PubChem CID166000280
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(1R,4R,5S,6S)-7-azabicyclo[4.2.0]octane-4,5-diol
SMILESO[C@H]1[C@H]2NC[C@H]2CC[C@H]1O
InChIInChI=1S/C7H13NO2/c9-5-2-1-4-3-8-6(4)7(5)10/h4-10H,1-3H2/t4-,5-,6+,7-/m1/s1
InChIKeyRLVFZJPJPTWUHD-MVIOUDGNSA-N
XLogP-0.91
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,5S,6S)-7-azabicyclo[4.2.0]octane-4,5-diol?
The IUPAC name of (1R,4R,5S,6S)-7-azabicyclo[4.2.0]octane-4,5-diol (CID 166000280) is (1R,4R,5S,6S)-7-azabicyclo[4.2.0]octane-4,5-diol.
What is the SMILES notation for (1R,4R,5S,6S)-7-azabicyclo[4.2.0]octane-4,5-diol?
The canonical SMILES for (1R,4R,5S,6S)-7-azabicyclo[4.2.0]octane-4,5-diol is O[C@H]1[C@H]2NC[C@H]2CC[C@H]1O.
What is the InChIKey of (1R,4R,5S,6S)-7-azabicyclo[4.2.0]octane-4,5-diol?
The InChIKey is RLVFZJPJPTWUHD-MVIOUDGNSA-N. The full InChI is InChI=1S/C7H13NO2/c9-5-2-1-4-3-8-6(4)7(5)10/h4-10H,1-3H2/t4-,5-,6+,7-/m1/s1.
What are the key properties of (1R,4R,5S,6S)-7-azabicyclo[4.2.0]octane-4,5-diol?
(1R,4R,5S,6S)-7-azabicyclo[4.2.0]octane-4,5-diol has a molecular weight of 143.19 g/mol, XLogP of -0.91, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5S,6S)-7-azabicyclo[4.2.0]octane-4,5-diol is sourced from PubChem (CID 166000280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).