7,7,8,9,9-pentamethyl-1-(oxiran-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C15H25N3O3 — CID 88733499

IUPAC7,7,8,9,9-pentamethyl-1-(oxiran-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(C)(C)CC2(CC1(C)C)C(=O)NC(=O)N2CC1CO1
InChIInChI=1S/C15H25N3O3/c1-13(2)8-15(9-14(3,4)17(13)5)11(19)16-12(20)18(15)6-10-7-21-10/h10H,6-9H2,1-5H3,(H,16,19,20)
InChIKeyZSZAPIYADGUIMM-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.96
Rot. Bonds2

About 7,7,8,9,9-pentamethyl-1-(oxiran-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

7,7,8,9,9-pentamethyl-1-(oxiran-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 88733499) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 7,7,8,9,9-pentamethyl-1-(oxiran-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name7,7,8,9,9-pentamethyl-1-(oxiran-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID88733499
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name7,7,8,9,9-pentamethyl-1-(oxiran-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(C)(C)CC2(CC1(C)C)C(=O)NC(=O)N2CC1CO1
InChIInChI=1S/C15H25N3O3/c1-13(2)8-15(9-14(3,4)17(13)5)11(19)16-12(20)18(15)6-10-7-21-10/h10H,6-9H2,1-5H3,(H,16,19,20)
InChIKeyZSZAPIYADGUIMM-UHFFFAOYSA-N
XLogP0.96
TPSA65.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 7,7,8,9,9-pentamethyl-1-(oxiran-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol
CID 158725431
5-ethyl-5-methyl-1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione
CID 27204
5,5-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazolidine-2,4-dione
CID 102901153
3a-methyl-3,6-bis(oxiran-2-ylmethyl)-4,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 122582805
1-hydroxy-2,2,7,7,8,9,9-heptamethyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 167297710
3-(3-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione
CID 54162897
5,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]imidazolidine-2,4-dione
CID 103140373
3,6-bis(oxiran-2-ylmethyl)-3a,6a-diphenyl-1,4-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 122582880
1-(oxiran-2-ylmethyl)-3,5-bis[[(2R)-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
CID 22088527
2,2-dibutyl-7,7,9,9-tetramethyl-3-(oxiran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-4-one
CID 151608784
3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64885686
5,5-dimethyl-3-(oxiran-2-ylmethyl)-6-propan-2-yl-1,3-diazinane-2,4-dione
CID 154133288

Frequently Asked Questions

What is the IUPAC name of 7,7,8,9,9-pentamethyl-1-(oxiran-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 7,7,8,9,9-pentamethyl-1-(oxiran-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 88733499) is 7,7,8,9,9-pentamethyl-1-(oxiran-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 7,7,8,9,9-pentamethyl-1-(oxiran-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 7,7,8,9,9-pentamethyl-1-(oxiran-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(C)(C)CC2(CC1(C)C)C(=O)NC(=O)N2CC1CO1.
What is the InChIKey of 7,7,8,9,9-pentamethyl-1-(oxiran-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZSZAPIYADGUIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-13(2)8-15(9-14(3,4)17(13)5)11(19)16-12(20)18(15)6-10-7-21-10/h10H,6-9H2,1-5H3,(H,16,19,20).
What are the key properties of 7,7,8,9,9-pentamethyl-1-(oxiran-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
7,7,8,9,9-pentamethyl-1-(oxiran-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 295.38 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,9,9-pentamethyl-1-(oxiran-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 88733499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).