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

C17H18F3N3O2 — CID 6911594

IUPAC8-methyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(/N=C/c1ccc(C(F)(F)F)cc1)C2=O
InChIInChI=1S/C17H18F3N3O2/c1-11-6-8-16(9-7-11)14(24)23(15(25)22-16)21-10-12-2-4-13(5-3-12)17(18,19)20/h2-5,10-11H,6-9H2,1H3,(H,22,25)/b21-10+
InChIKeyXMLLSYWCYXFPTL-UFFVCSGVSA-N
MW353.34 g/mol
LogP3.54
Rot. Bonds2

About 8-methyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

8-methyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 6911594) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 8-methyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID6911594
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name8-methyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(/N=C/c1ccc(C(F)(F)F)cc1)C2=O
InChIInChI=1S/C17H18F3N3O2/c1-11-6-8-16(9-7-11)14(24)23(15(25)22-16)21-10-12-2-4-13(5-3-12)17(18,19)20/h2-5,10-11H,6-9H2,1H3,(H,22,25)/b21-10+
InChIKeyXMLLSYWCYXFPTL-UFFVCSGVSA-N
XLogP3.54
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.54
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 8-methyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 6911594) is 8-methyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(/N=C/c1ccc(C(F)(F)F)cc1)C2=O.
What is the InChIKey of 8-methyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is XMLLSYWCYXFPTL-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-11-6-8-16(9-7-11)14(24)23(15(25)22-16)21-10-12-2-4-13(5-3-12)17(18,19)20/h2-5,10-11H,6-9H2,1H3,(H,22,25)/b21-10+.
What are the key properties of 8-methyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-methyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 353.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 6911594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).