(3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decane

C11H17N3O — CID 97489748

IUPAC(3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decane
SMILESc1cn([C@@H]2CO[C@@]3(CCCNC3)C2)cn1
InChIInChI=1S/C11H17N3O/c1-2-11(8-12-3-1)6-10(7-15-11)14-5-4-13-9-14/h4-5,9-10,12H,1-3,6-8H2/t10-,11-/m0/s1
InChIKeyJTDLUVWCGALWFA-QWRGUYRKSA-N
MW207.28 g/mol
LogP0.97
Rot. Bonds1

About (3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decane

(3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decane (PubChem CID 97489748) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decane
PubChem CID97489748
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decane
SMILESc1cn([C@@H]2CO[C@@]3(CCCNC3)C2)cn1
InChIInChI=1S/C11H17N3O/c1-2-11(8-12-3-1)6-10(7-15-11)14-5-4-13-9-14/h4-5,9-10,12H,1-3,6-8H2/t10-,11-/m0/s1
InChIKeyJTDLUVWCGALWFA-QWRGUYRKSA-N
XLogP0.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decane (CID 97489748) is (3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decane is c1cn([C@@H]2CO[C@@]3(CCCNC3)C2)cn1.
What is the InChIKey of (3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is JTDLUVWCGALWFA-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-11(8-12-3-1)6-10(7-15-11)14-5-4-13-9-14/h4-5,9-10,12H,1-3,6-8H2/t10-,11-/m0/s1.
What are the key properties of (3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decane?
(3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 207.28 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97489748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).