7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C15H17N3O3 — CID 78995917

IUPAC7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCc1ccccc1CC(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C15H17N3O3/c1-10-4-2-3-5-11(10)8-12(19)18-7-6-15(9-18)13(20)16-14(21)17-15/h2-5H,6-9H2,1H3,(H2,16,17,20,21)
InChIKeyXTKVDTCDMMFZQZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.35
Rot. Bonds2

About 7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 78995917) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID78995917
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCc1ccccc1CC(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C15H17N3O3/c1-10-4-2-3-5-11(10)8-12(19)18-7-6-15(9-18)13(20)16-14(21)17-15/h2-5H,6-9H2,1H3,(H2,16,17,20,21)
InChIKeyXTKVDTCDMMFZQZ-UHFFFAOYSA-N
XLogP0.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-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

7-[2-(2-fluorophenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996426
7-(2-phenylsulfanylacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996449
7-pentanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996234
(5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 95773358
7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995995
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 80706813
7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996483
7-(3-methylthiophene-2-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996200
7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996277
8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62848964
7-(2-thiophen-2-ylsulfanylacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996074
7-(2-cyclopentylacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996213

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 78995917) is 7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione is Cc1ccccc1CC(=O)N1CCC2(C1)NC(=O)NC2=O.
What is the InChIKey of 7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is XTKVDTCDMMFZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-4-2-3-5-11(10)8-12(19)18-7-6-15(9-18)13(20)16-14(21)17-15/h2-5H,6-9H2,1H3,(H2,16,17,20,21).
What are the key properties of 7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 287.32 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 78995917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).