(3R,5S)-2,6-dimethyl-3-propan-2-yl-2,6-diazaspiro[4.5]dec-8-ene-1,4-dione

C13H20N2O2 — CID 59288079

IUPAC(3R,5S)-2,6-dimethyl-3-propan-2-yl-2,6-diazaspiro[4.5]dec-8-ene-1,4-dione
SMILESCC(C)[C@@H]1C(=O)[C@@]2(CC=CCN2C)C(=O)N1C
InChIInChI=1S/C13H20N2O2/c1-9(2)10-11(16)13(12(17)15(10)4)7-5-6-8-14(13)3/h5-6,9-10H,7-8H2,1-4H3/t10-,13+/m1/s1
InChIKeyKMOVBEPCBASVGM-MFKMUULPSA-N
MW236.31 g/mol
LogP0.68
Rot. Bonds1

About (3R,5S)-2,6-dimethyl-3-propan-2-yl-2,6-diazaspiro[4.5]dec-8-ene-1,4-dione

(3R,5S)-2,6-dimethyl-3-propan-2-yl-2,6-diazaspiro[4.5]dec-8-ene-1,4-dione (PubChem CID 59288079) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (3R,5S)-2,6-dimethyl-3-propan-2-yl-2,6-diazaspiro[4.5]dec-8-ene-1,4-dione.

Molecular Properties

Compound Name(3R,5S)-2,6-dimethyl-3-propan-2-yl-2,6-diazaspiro[4.5]dec-8-ene-1,4-dione
PubChem CID59288079
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(3R,5S)-2,6-dimethyl-3-propan-2-yl-2,6-diazaspiro[4.5]dec-8-ene-1,4-dione
SMILESCC(C)[C@@H]1C(=O)[C@@]2(CC=CCN2C)C(=O)N1C
InChIInChI=1S/C13H20N2O2/c1-9(2)10-11(16)13(12(17)15(10)4)7-5-6-8-14(13)3/h5-6,9-10H,7-8H2,1-4H3/t10-,13+/m1/s1
InChIKeyKMOVBEPCBASVGM-MFKMUULPSA-N
XLogP0.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,5S)-2,6-dimethyl-3-propan-2-yl-2,6-diazaspiro[4.5]dec-8-ene-1,4-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 (3R,5S)-2,6-dimethyl-3-propan-2-yl-2,6-diazaspiro[4.5]dec-8-ene-1,4-dione?
The IUPAC name of (3R,5S)-2,6-dimethyl-3-propan-2-yl-2,6-diazaspiro[4.5]dec-8-ene-1,4-dione (CID 59288079) is (3R,5S)-2,6-dimethyl-3-propan-2-yl-2,6-diazaspiro[4.5]dec-8-ene-1,4-dione.
What is the SMILES notation for (3R,5S)-2,6-dimethyl-3-propan-2-yl-2,6-diazaspiro[4.5]dec-8-ene-1,4-dione?
The canonical SMILES for (3R,5S)-2,6-dimethyl-3-propan-2-yl-2,6-diazaspiro[4.5]dec-8-ene-1,4-dione is CC(C)[C@@H]1C(=O)[C@@]2(CC=CCN2C)C(=O)N1C.
What is the InChIKey of (3R,5S)-2,6-dimethyl-3-propan-2-yl-2,6-diazaspiro[4.5]dec-8-ene-1,4-dione?
The InChIKey is KMOVBEPCBASVGM-MFKMUULPSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)10-11(16)13(12(17)15(10)4)7-5-6-8-14(13)3/h5-6,9-10H,7-8H2,1-4H3/t10-,13+/m1/s1.
What are the key properties of (3R,5S)-2,6-dimethyl-3-propan-2-yl-2,6-diazaspiro[4.5]dec-8-ene-1,4-dione?
(3R,5S)-2,6-dimethyl-3-propan-2-yl-2,6-diazaspiro[4.5]dec-8-ene-1,4-dione has a molecular weight of 236.31 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-2,6-dimethyl-3-propan-2-yl-2,6-diazaspiro[4.5]dec-8-ene-1,4-dione is sourced from PubChem (CID 59288079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).