(4R,5S)-1-azaspiro[3.4]oct-6-en-5-ol

C7H11NO — CID 102578401

IUPAC(4R,5S)-1-azaspiro[3.4]oct-6-en-5-ol
SMILESO[C@H]1C=CC[C@@]12CCN2
InChIInChI=1S/C7H11NO/c9-6-2-1-3-7(6)4-5-8-7/h1-2,6,8-9H,3-5H2/t6-,7+/m0/s1
InChIKeyUJSRWEDJBALMNV-NKWVEPMBSA-N
MW125.17 g/mol
LogP0.04
Rot. Bonds

About (4R,5S)-1-azaspiro[3.4]oct-6-en-5-ol

(4R,5S)-1-azaspiro[3.4]oct-6-en-5-ol (PubChem CID 102578401) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (4R,5S)-1-azaspiro[3.4]oct-6-en-5-ol.

Molecular Properties

Compound Name(4R,5S)-1-azaspiro[3.4]oct-6-en-5-ol
PubChem CID102578401
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(4R,5S)-1-azaspiro[3.4]oct-6-en-5-ol
SMILESO[C@H]1C=CC[C@@]12CCN2
InChIInChI=1S/C7H11NO/c9-6-2-1-3-7(6)4-5-8-7/h1-2,6,8-9H,3-5H2/t6-,7+/m0/s1
InChIKeyUJSRWEDJBALMNV-NKWVEPMBSA-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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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1-azaspiro[3.4]oct-6-en-5-ol?
The IUPAC name of (4R,5S)-1-azaspiro[3.4]oct-6-en-5-ol (CID 102578401) is (4R,5S)-1-azaspiro[3.4]oct-6-en-5-ol.
What is the SMILES notation for (4R,5S)-1-azaspiro[3.4]oct-6-en-5-ol?
The canonical SMILES for (4R,5S)-1-azaspiro[3.4]oct-6-en-5-ol is O[C@H]1C=CC[C@@]12CCN2.
What is the InChIKey of (4R,5S)-1-azaspiro[3.4]oct-6-en-5-ol?
The InChIKey is UJSRWEDJBALMNV-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H11NO/c9-6-2-1-3-7(6)4-5-8-7/h1-2,6,8-9H,3-5H2/t6-,7+/m0/s1.
What are the key properties of (4R,5S)-1-azaspiro[3.4]oct-6-en-5-ol?
(4R,5S)-1-azaspiro[3.4]oct-6-en-5-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 (4R,5S)-1-azaspiro[3.4]oct-6-en-5-ol is sourced from PubChem (CID 102578401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).