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

C14H15N3O3 — CID 78996277

IUPAC7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCc1cccc(C(=O)N2CCC3(C2)NC(=O)NC3=O)c1
InChIInChI=1S/C14H15N3O3/c1-9-3-2-4-10(7-9)11(18)17-6-5-14(8-17)12(19)15-13(20)16-14/h2-4,7H,5-6,8H2,1H3,(H2,15,16,19,20)
InChIKeyOGFFQPYDPKOKMR-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.42
Rot. Bonds1

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

7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 78996277) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID78996277
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCc1cccc(C(=O)N2CCC3(C2)NC(=O)NC3=O)c1
InChIInChI=1S/C14H15N3O3/c1-9-3-2-4-10(7-9)11(18)17-6-5-14(8-17)12(19)15-13(20)16-14/h2-4,7H,5-6,8H2,1H3,(H2,15,16,19,20)
InChIKeyOGFFQPYDPKOKMR-UHFFFAOYSA-N
XLogP0.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione with MolForge

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Related Compounds

7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 103908737
(5R)-7-[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 95773336
7-(4-bromo-3-chlorobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 80998098
N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide
CID 147946816
7-(5-bromo-2-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 79012195
7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996341
7-(3-methylthiophene-2-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996200
7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996239
7-(5-fluoropyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 115694744
7-(6-fluoropyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 79210280
3-bromo-N-[3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]benzamide
CID 71685247
(3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97374282

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 78996277) is 7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is Cc1cccc(C(=O)N2CCC3(C2)NC(=O)NC3=O)c1.
What is the InChIKey of 7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is OGFFQPYDPKOKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-3-2-4-10(7-9)11(18)17-6-5-14(8-17)12(19)15-13(20)16-14/h2-4,7H,5-6,8H2,1H3,(H2,15,16,19,20).
What are the key properties of 7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 273.29 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 78996277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).