3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

C16H16F3N3O2 — CID 2643524

IUPAC3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)12-6-4-11(5-7-12)10-20-22-13(23)15(21-14(22)24)8-2-1-3-9-15/h4-7,10H,1-3,8-9H2,(H,21,24)
InChIKeyFEOGGLIEXMWKLB-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.29
Rot. Bonds2

About 3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2643524) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2643524
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)12-6-4-11(5-7-12)10-20-22-13(23)15(21-14(22)24)8-2-1-3-9-15/h4-7,10H,1-3,8-9H2,(H,21,24)
InChIKeyFEOGGLIEXMWKLB-UHFFFAOYSA-N
XLogP3.29
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2643524) is 3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1N=Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is FEOGGLIEXMWKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)12-6-4-11(5-7-12)10-20-22-13(23)15(21-14(22)24)8-2-1-3-9-15/h4-7,10H,1-3,8-9H2,(H,21,24).
What are the key properties of 3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 339.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2643524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).