8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

C12H18N2O4 — CID 104767891

IUPAC8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCC(C)OCCN1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C12H18N2O4/c1-8(2)18-7-6-14-10(16)12(4-3-5-12)9(15)13-11(14)17/h8H,3-7H2,1-2H3,(H,13,15,17)
InChIKeyGAMJIRULNIOCTB-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.66
Rot. Bonds4

About 8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 104767891) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID104767891
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCC(C)OCCN1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C12H18N2O4/c1-8(2)18-7-6-14-10(16)12(4-3-5-12)9(15)13-11(14)17/h8H,3-7H2,1-2H3,(H,13,15,17)
InChIKeyGAMJIRULNIOCTB-UHFFFAOYSA-N
XLogP0.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione 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 8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 104767891) is 8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is CC(C)OCCN1C(=O)NC(=O)C2(CCC2)C1=O.
What is the InChIKey of 8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is GAMJIRULNIOCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8(2)18-7-6-14-10(16)12(4-3-5-12)9(15)13-11(14)17/h8H,3-7H2,1-2H3,(H,13,15,17).
What are the key properties of 8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 254.29 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 104767891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).