9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione

C11H17N3O4 — CID 113374783

IUPAC9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESCOC(C)C(=O)N1CCCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C11H17N3O4/c1-7(18-2)8(15)14-5-3-4-11(6-14)9(16)12-10(17)13-11/h7H,3-6H2,1-2H3,(H2,12,13,16,17)
InChIKeyZHZKXDVZBWEWGL-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.78
Rot. Bonds2

About 9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione

9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione (PubChem CID 113374783) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
PubChem CID113374783
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESCOC(C)C(=O)N1CCCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C11H17N3O4/c1-7(18-2)8(15)14-5-3-4-11(6-14)9(16)12-10(17)13-11/h7H,3-6H2,1-2H3,(H2,12,13,16,17)
InChIKeyZHZKXDVZBWEWGL-UHFFFAOYSA-N
XLogP-0.78
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-(2-methoxypropanoyl)-1,3,9-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

9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 107905582
9-prop-1-en-2-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 70214165
7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 106113360
4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 154864361
7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 112692300
9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 115287620
(5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 98767916
9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen
CID 177033435
9-(1,3-dimethylpyrazole-4-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 102801969
1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one
CID 126989694
N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
CID 78996102
(5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 129395464

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione (CID 113374783) is 9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione is COC(C)C(=O)N1CCCC2(C1)NC(=O)NC2=O.
What is the InChIKey of 9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZHZKXDVZBWEWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7(18-2)8(15)14-5-3-4-11(6-14)9(16)12-10(17)13-11/h7H,3-6H2,1-2H3,(H2,12,13,16,17).
What are the key properties of 9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione?
9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 255.27 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 113374783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).