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

C10H17N3O2 — CID 70215240

IUPAC7-butan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCCC(C)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C10H17N3O2/c1-3-7(2)13-5-4-10(6-13)8(14)11-9(15)12-10/h7H,3-6H2,1-2H3,(H2,11,12,14,15)
InChIKeyCIGSKGZKWFQDAJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.07
Rot. Bonds2

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

7-butan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 70215240) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 7-butan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-butan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID70215240
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name7-butan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCCC(C)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C10H17N3O2/c1-3-7(2)13-5-4-10(6-13)8(14)11-9(15)12-10/h7H,3-6H2,1-2H3,(H2,11,12,14,15)
InChIKeyCIGSKGZKWFQDAJ-UHFFFAOYSA-N
XLogP0.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-butan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 70215240) is 7-butan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-butan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-butan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CCC(C)N1CCC2(C1)NC(=O)NC2=O.
What is the InChIKey of 7-butan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is CIGSKGZKWFQDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-7(2)13-5-4-10(6-13)8(14)11-9(15)12-10/h7H,3-6H2,1-2H3,(H2,11,12,14,15).
What are the key properties of 7-butan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-butan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 70215240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).