3-methyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C10H17N3O2 — CID 127282457

IUPAC3-methyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)N1CCC2(C1)NC(=O)N(C)C2=O
InChIInChI=1S/C10H17N3O2/c1-7(2)13-5-4-10(6-13)8(14)12(3)9(15)11-10/h7H,4-6H2,1-3H3,(H,11,15)
InChIKeyHVQKXWPTCYSKFS-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.02
Rot. Bonds1

About 3-methyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

3-methyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 127282457) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-methyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-methyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID127282457
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-methyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)N1CCC2(C1)NC(=O)N(C)C2=O
InChIInChI=1S/C10H17N3O2/c1-7(2)13-5-4-10(6-13)8(14)12(3)9(15)11-10/h7H,4-6H2,1-3H3,(H,11,15)
InChIKeyHVQKXWPTCYSKFS-UHFFFAOYSA-N
XLogP0.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,7-Triazaspiro(4.4)nonane-2,4-dione hydrochloride
CID 54594450
Tert-butyl 2,4-dioxo-1,3,7-triazaspiro(4.4)nonane-7-carboxylate
CID 71756687
3-Methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione hydrochloride
CID 72716279
(S)-5-((S)-sec-butyl)-3-(3-(2-oxopyrrolidin-1-yl)propyl)imidazolidine-2,4-dione
CID 16401260
5,5-Dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 47013852
1,3,7-Triazaspiro[4.4]nonane-2,4-dione
CID 18442718
1,4-Bis(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butane
CID 598298
5-(2-Oxo-2-(pyrrolidin-1-yl)ethyl)imidazolidine-2,4-dione
CID 16227499
3-(Propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 71873198
N-(2,5-Dioxo-1-propylpyrrolidin-3-yl)-N'-propylurea
CID 335886
3-Butyl-5-(1-methylethyl)-2,4-imidazolidinedione
CID 19078762
5,5-Diethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 18775734

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-methyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 127282457) is 3-methyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-methyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-methyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CC(C)N1CCC2(C1)NC(=O)N(C)C2=O.
What is the InChIKey of 3-methyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is HVQKXWPTCYSKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)13-5-4-10(6-13)8(14)12(3)9(15)11-10/h7H,4-6H2,1-3H3,(H,11,15).
What are the key properties of 3-methyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
3-methyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 127282457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).