(1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol

C10H19NO2 — CID 95396425

IUPAC(1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@H]1C[C@@H](O)C12CCNCC2
InChIInChI=1S/C10H19NO2/c1-2-13-9-7-8(12)10(9)3-5-11-6-4-10/h8-9,11-12H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyWBKRQCLCXTYBRL-BDAKNGLRSA-N
MW185.27 g/mol
LogP0.53
Rot. Bonds2

About (1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol

(1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol (PubChem CID 95396425) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
PubChem CID95396425
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@H]1C[C@@H](O)C12CCNCC2
InChIInChI=1S/C10H19NO2/c1-2-13-9-7-8(12)10(9)3-5-11-6-4-10/h8-9,11-12H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyWBKRQCLCXTYBRL-BDAKNGLRSA-N
XLogP0.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol (CID 95396425) is (1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol is CCO[C@H]1C[C@@H](O)C12CCNCC2.
What is the InChIKey of (1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is WBKRQCLCXTYBRL-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-13-9-7-8(12)10(9)3-5-11-6-4-10/h8-9,11-12H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of (1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 185.27 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 95396425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).