(5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione

C14H16N2O2 — CID 124527239

IUPAC(5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCN1CC[C@]2(CC(=O)NC2=O)[C@H]1c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-16-8-7-14(9-11(17)15-13(14)18)12(16)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,15,17,18)/t12-,14+/m1/s1
InChIKeyLKIWSDNHKKUEMY-OCCSQVGLSA-N
MW244.29 g/mol
LogP1.10
Rot. Bonds1

About (5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione

(5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione (PubChem CID 124527239) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name(5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione
PubChem CID124527239
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCN1CC[C@]2(CC(=O)NC2=O)[C@H]1c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-16-8-7-14(9-11(17)15-13(14)18)12(16)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,15,17,18)/t12-,14+/m1/s1
InChIKeyLKIWSDNHKKUEMY-OCCSQVGLSA-N
XLogP1.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione 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 (5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione?
The IUPAC name of (5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione (CID 124527239) is (5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for (5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for (5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione is CN1CC[C@]2(CC(=O)NC2=O)[C@H]1c1ccccc1.
What is the InChIKey of (5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione?
The InChIKey is LKIWSDNHKKUEMY-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-8-7-14(9-11(17)15-13(14)18)12(16)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,15,17,18)/t12-,14+/m1/s1.
What are the key properties of (5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione?
(5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione has a molecular weight of 244.29 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 124527239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).