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

C7H11NO — CID 141439588

IUPAC(1S,5R)-8-azabicyclo[3.2.1]oct-6-en-3-ol
SMILESOC1C[C@H]2C=C[C@@H](C1)N2
InChIInChI=1S/C7H11NO/c9-7-3-5-1-2-6(4-7)8-5/h1-2,5-9H,3-4H2/t5-,6+,7?
InChIKeyZVWDACLWQCFPKQ-MEKDEQNOSA-N
MW125.17 g/mol
LogP0.04
Rot. Bonds

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

(1S,5R)-8-azabicyclo[3.2.1]oct-6-en-3-ol (PubChem CID 141439588) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (1S,5R)-8-azabicyclo[3.2.1]oct-6-en-3-ol.

Molecular Properties

Compound Name(1S,5R)-8-azabicyclo[3.2.1]oct-6-en-3-ol
PubChem CID141439588
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(1S,5R)-8-azabicyclo[3.2.1]oct-6-en-3-ol
SMILESOC1C[C@H]2C=C[C@@H](C1)N2
InChIInChI=1S/C7H11NO/c9-7-3-5-1-2-6(4-7)8-5/h1-2,5-9H,3-4H2/t5-,6+,7?
InChIKeyZVWDACLWQCFPKQ-MEKDEQNOSA-N
XLogP0.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.04
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

(3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol
CID 11094703
(2R,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 10773405
(2S,4S)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 10241170
8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol
CID 564940
(2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 15071617
6,7-Dehydrotropin
CID 14403146
2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 101290455
(2R,4S)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 11286679
(2R,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol
CID 25231927
(2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol
CID 55286118
2-[(E)-2-iodoethenyl]piperidin-4-ol
CID 134858508
(2S,4S,6R)-2-[(E)-prop-1-enyl]-6-(trifluoromethyl)piperidin-4-ol
CID 16080246

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-azabicyclo[3.2.1]oct-6-en-3-ol?
The IUPAC name of (1S,5R)-8-azabicyclo[3.2.1]oct-6-en-3-ol (CID 141439588) is (1S,5R)-8-azabicyclo[3.2.1]oct-6-en-3-ol.
What is the SMILES notation for (1S,5R)-8-azabicyclo[3.2.1]oct-6-en-3-ol?
The canonical SMILES for (1S,5R)-8-azabicyclo[3.2.1]oct-6-en-3-ol is OC1C[C@H]2C=C[C@@H](C1)N2.
What is the InChIKey of (1S,5R)-8-azabicyclo[3.2.1]oct-6-en-3-ol?
The InChIKey is ZVWDACLWQCFPKQ-MEKDEQNOSA-N. The full InChI is InChI=1S/C7H11NO/c9-7-3-5-1-2-6(4-7)8-5/h1-2,5-9H,3-4H2/t5-,6+,7?.
What are the key properties of (1S,5R)-8-azabicyclo[3.2.1]oct-6-en-3-ol?
(1S,5R)-8-azabicyclo[3.2.1]oct-6-en-3-ol has a molecular weight of 125.17 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-azabicyclo[3.2.1]oct-6-en-3-ol is sourced from PubChem (CID 141439588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).