(6S)-2-azaspiro[3.4]octan-6-ol

C7H13NO — CID 139512548

IUPAC(6S)-2-azaspiro[3.4]octan-6-ol
SMILESO[C@H]1CCC2(CNC2)C1
InChIInChI=1S/C7H13NO/c9-6-1-2-7(3-6)4-8-5-7/h6,8-9H,1-5H2/t6-/m0/s1
InChIKeyJVEMDMMDFHXQSB-LURJTMIESA-N
MW127.19 g/mol
LogP0.12
Rot. Bonds

About (6S)-2-azaspiro[3.4]octan-6-ol

(6S)-2-azaspiro[3.4]octan-6-ol (PubChem CID 139512548) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (6S)-2-azaspiro[3.4]octan-6-ol.

Molecular Properties

Compound Name(6S)-2-azaspiro[3.4]octan-6-ol
PubChem CID139512548
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(6S)-2-azaspiro[3.4]octan-6-ol
SMILESO[C@H]1CCC2(CNC2)C1
InChIInChI=1S/C7H13NO/c9-6-1-2-7(3-6)4-8-5-7/h6,8-9H,1-5H2/t6-/m0/s1
InChIKeyJVEMDMMDFHXQSB-LURJTMIESA-N
XLogP0.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-azaspiro[3.4]octan-6-ol?
The IUPAC name of (6S)-2-azaspiro[3.4]octan-6-ol (CID 139512548) is (6S)-2-azaspiro[3.4]octan-6-ol.
What is the SMILES notation for (6S)-2-azaspiro[3.4]octan-6-ol?
The canonical SMILES for (6S)-2-azaspiro[3.4]octan-6-ol is O[C@H]1CCC2(CNC2)C1.
What is the InChIKey of (6S)-2-azaspiro[3.4]octan-6-ol?
The InChIKey is JVEMDMMDFHXQSB-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO/c9-6-1-2-7(3-6)4-8-5-7/h6,8-9H,1-5H2/t6-/m0/s1.
What are the key properties of (6S)-2-azaspiro[3.4]octan-6-ol?
(6S)-2-azaspiro[3.4]octan-6-ol has a molecular weight of 127.19 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-azaspiro[3.4]octan-6-ol is sourced from PubChem (CID 139512548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).