(6R,7R,8S)-8-prop-1-ynyl-4-azaspiro[2.5]octane-6,7-diol

C10H15NO2 — CID 118197611

IUPAC(6R,7R,8S)-8-prop-1-ynyl-4-azaspiro[2.5]octane-6,7-diol
SMILESCC#C[C@@H]1[C@@H](O)[C@H](O)CNC12CC2
InChIInChI=1S/C10H15NO2/c1-2-3-7-9(13)8(12)6-11-10(7)4-5-10/h7-9,11-13H,4-6H2,1H3/t7-,8-,9-/m1/s1
InChIKeyCFLYIQUIFBLZQN-IWSPIJDZSA-N
MW181.23 g/mol
LogP-0.52
Rot. Bonds

About (6R,7R,8S)-8-prop-1-ynyl-4-azaspiro[2.5]octane-6,7-diol

(6R,7R,8S)-8-prop-1-ynyl-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 118197611) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (6R,7R,8S)-8-prop-1-ynyl-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name(6R,7R,8S)-8-prop-1-ynyl-4-azaspiro[2.5]octane-6,7-diol
PubChem CID118197611
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(6R,7R,8S)-8-prop-1-ynyl-4-azaspiro[2.5]octane-6,7-diol
SMILESCC#C[C@@H]1[C@@H](O)[C@H](O)CNC12CC2
InChIInChI=1S/C10H15NO2/c1-2-3-7-9(13)8(12)6-11-10(7)4-5-10/h7-9,11-13H,4-6H2,1H3/t7-,8-,9-/m1/s1
InChIKeyCFLYIQUIFBLZQN-IWSPIJDZSA-N
XLogP-0.52
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (6R,7R,8S)-8-prop-1-ynyl-4-azaspiro[2.5]octane-6,7-diol 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 (6R,7R,8S)-8-prop-1-ynyl-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of (6R,7R,8S)-8-prop-1-ynyl-4-azaspiro[2.5]octane-6,7-diol (CID 118197611) is (6R,7R,8S)-8-prop-1-ynyl-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for (6R,7R,8S)-8-prop-1-ynyl-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for (6R,7R,8S)-8-prop-1-ynyl-4-azaspiro[2.5]octane-6,7-diol is CC#C[C@@H]1[C@@H](O)[C@H](O)CNC12CC2.
What is the InChIKey of (6R,7R,8S)-8-prop-1-ynyl-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is CFLYIQUIFBLZQN-IWSPIJDZSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-3-7-9(13)8(12)6-11-10(7)4-5-10/h7-9,11-13H,4-6H2,1H3/t7-,8-,9-/m1/s1.
What are the key properties of (6R,7R,8S)-8-prop-1-ynyl-4-azaspiro[2.5]octane-6,7-diol?
(6R,7R,8S)-8-prop-1-ynyl-4-azaspiro[2.5]octane-6,7-diol has a molecular weight of 181.23 g/mol, XLogP of -0.52, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,8S)-8-prop-1-ynyl-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 118197611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).