5-methyl-3-methylimino-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one

C14H14F3NO2 — CID 57155484

IUPAC5-methyl-3-methylimino-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one
SMILESC/N=C1\CC(C)C(=O)C1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H14F3NO2/c1-8-6-11(18-2)12(13(8)19)9-4-3-5-10(7-9)20-14(15,16)17/h3-5,7-8,12H,6H2,1-2H3/b18-11+
InChIKeyCIOLUGUNOUJVSC-WOJGMQOQSA-N
MW285.27 g/mol
LogP3.35
Rot. Bonds2

About 5-methyl-3-methylimino-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one

5-methyl-3-methylimino-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one (PubChem CID 57155484) has the molecular formula C14H14F3NO2 and a molecular weight of 285.27 g/mol. Its IUPAC name is 5-methyl-3-methylimino-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name5-methyl-3-methylimino-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one
PubChem CID57155484
Molecular FormulaC14H14F3NO2
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name5-methyl-3-methylimino-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one
SMILESC/N=C1\CC(C)C(=O)C1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H14F3NO2/c1-8-6-11(18-2)12(13(8)19)9-4-3-5-10(7-9)20-14(15,16)17/h3-5,7-8,12H,6H2,1-2H3/b18-11+
InChIKeyCIOLUGUNOUJVSC-WOJGMQOQSA-N
XLogP3.35
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-3-methylimino-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one?
The IUPAC name of 5-methyl-3-methylimino-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one (CID 57155484) is 5-methyl-3-methylimino-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one.
What is the SMILES notation for 5-methyl-3-methylimino-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one?
The canonical SMILES for 5-methyl-3-methylimino-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one is C/N=C1\CC(C)C(=O)C1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-methyl-3-methylimino-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one?
The InChIKey is CIOLUGUNOUJVSC-WOJGMQOQSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-8-6-11(18-2)12(13(8)19)9-4-3-5-10(7-9)20-14(15,16)17/h3-5,7-8,12H,6H2,1-2H3/b18-11+.
What are the key properties of 5-methyl-3-methylimino-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one?
5-methyl-3-methylimino-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one has a molecular weight of 285.27 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-methylimino-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one is sourced from PubChem (CID 57155484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).