(1S,5R)-8-hydroxy-6-azabicyclo[3.2.1]oct-3-en-7-one

C7H9NO2 — CID 101030996

IUPAC(1S,5R)-8-hydroxy-6-azabicyclo[3.2.1]oct-3-en-7-one
SMILESO=C1N[C@@H]2C=CC[C@H]1C2O
InChIInChI=1S/C7H9NO2/c9-6-4-2-1-3-5(6)8-7(4)10/h1,3-6,9H,2H2,(H,8,10)/t4-,5+,6?/m0/s1
InChIKeyYFYSHWHJPIYHOA-YRZWDFBDSA-N
MW139.15 g/mol
LogP-0.58
Rot. Bonds

About (1S,5R)-8-hydroxy-6-azabicyclo[3.2.1]oct-3-en-7-one

(1S,5R)-8-hydroxy-6-azabicyclo[3.2.1]oct-3-en-7-one (PubChem CID 101030996) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (1S,5R)-8-hydroxy-6-azabicyclo[3.2.1]oct-3-en-7-one.

Molecular Properties

Compound Name(1S,5R)-8-hydroxy-6-azabicyclo[3.2.1]oct-3-en-7-one
PubChem CID101030996
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(1S,5R)-8-hydroxy-6-azabicyclo[3.2.1]oct-3-en-7-one
SMILESO=C1N[C@@H]2C=CC[C@H]1C2O
InChIInChI=1S/C7H9NO2/c9-6-4-2-1-3-5(6)8-7(4)10/h1,3-6,9H,2H2,(H,8,10)/t4-,5+,6?/m0/s1
InChIKeyYFYSHWHJPIYHOA-YRZWDFBDSA-N
XLogP-0.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(1S,6R)-7-azabicyclo[4.2.0]oct-3-en-8-one
CID 6932379
(3S,3aS,7aR)-3-(hydroxymethyl)-2,3,3a,4,7,7a-hexahydroisoindol-1-one
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(3aS,6aR)-3,3a,6,6a-tetrahydrocyclopenta[d][1,3]oxazol-2-one
CID 101213262
3,4,5-trihydroxypiperidin-2-one
CID 14867232
(1S,2S,5R)-2-hydroxy-6-azabicyclo[3.2.1]octan-7-one
CID 129413410
2-hydroxy-6-azabicyclo[3.2.1]octan-7-one
CID 119053637
3a,4,7,7a-tetrahydroisoindole-1,3-dione;ethane
CID 90971998
(1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione
CID 6947146
2-azabicyclo[2.2.0]hex-5-en-3-one
CID 542871
(3aS,6aS)-3,3a,4,6a-tetrahydrocyclopenta[d][1,3]oxazol-2-one
CID 102147997

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-hydroxy-6-azabicyclo[3.2.1]oct-3-en-7-one?
The IUPAC name of (1S,5R)-8-hydroxy-6-azabicyclo[3.2.1]oct-3-en-7-one (CID 101030996) is (1S,5R)-8-hydroxy-6-azabicyclo[3.2.1]oct-3-en-7-one.
What is the SMILES notation for (1S,5R)-8-hydroxy-6-azabicyclo[3.2.1]oct-3-en-7-one?
The canonical SMILES for (1S,5R)-8-hydroxy-6-azabicyclo[3.2.1]oct-3-en-7-one is O=C1N[C@@H]2C=CC[C@H]1C2O.
What is the InChIKey of (1S,5R)-8-hydroxy-6-azabicyclo[3.2.1]oct-3-en-7-one?
The InChIKey is YFYSHWHJPIYHOA-YRZWDFBDSA-N. The full InChI is InChI=1S/C7H9NO2/c9-6-4-2-1-3-5(6)8-7(4)10/h1,3-6,9H,2H2,(H,8,10)/t4-,5+,6?/m0/s1.
What are the key properties of (1S,5R)-8-hydroxy-6-azabicyclo[3.2.1]oct-3-en-7-one?
(1S,5R)-8-hydroxy-6-azabicyclo[3.2.1]oct-3-en-7-one has a molecular weight of 139.15 g/mol, XLogP of -0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-hydroxy-6-azabicyclo[3.2.1]oct-3-en-7-one is sourced from PubChem (CID 101030996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).