5-cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one

C17H18F3NO — CID 57036328

IUPAC5-cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILES[H]/N=C1\CC(C2CCCC2)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3NO/c18-17(19,20)12-7-3-6-11(8-12)15-14(21)9-13(16(15)22)10-4-1-2-5-10/h3,6-8,10,13,15,21H,1-2,4-5,9H2/b21-14+
InChIKeyGQXYBGPJLUSTFZ-KGENOOAVSA-N
MW309.33 g/mol
LogP4.59
Rot. Bonds2

About 5-cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one

5-cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (PubChem CID 57036328) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name5-cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
PubChem CID57036328
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name5-cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILES[H]/N=C1\CC(C2CCCC2)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3NO/c18-17(19,20)12-7-3-6-11(8-12)15-14(21)9-13(16(15)22)10-4-1-2-5-10/h3,6-8,10,13,15,21H,1-2,4-5,9H2/b21-14+
InChIKeyGQXYBGPJLUSTFZ-KGENOOAVSA-N
XLogP4.59
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The IUPAC name of 5-cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (CID 57036328) is 5-cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 5-cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 5-cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is [H]/N=C1\CC(C2CCCC2)C(=O)C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The InChIKey is GQXYBGPJLUSTFZ-KGENOOAVSA-N. The full InChI is InChI=1S/C17H18F3NO/c18-17(19,20)12-7-3-6-11(8-12)15-14(21)9-13(16(15)22)10-4-1-2-5-10/h3,6-8,10,13,15,21H,1-2,4-5,9H2/b21-14+.
What are the key properties of 5-cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
5-cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one has a molecular weight of 309.33 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 57036328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).