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

C15H16F3NO — CID 57080789

IUPAC3-imino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILES[H]/N=C1\CC(CCC)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NO/c1-2-4-10-8-12(19)13(14(10)20)9-5-3-6-11(7-9)15(16,17)18/h3,5-7,10,13,19H,2,4,8H2,1H3/b19-12+
InChIKeyFVYDQEZBLJLYCQ-XDHOZWIPSA-N
MW283.29 g/mol
LogP4.20
Rot. Bonds3

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

3-imino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (PubChem CID 57080789) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-imino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-imino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
PubChem CID57080789
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name3-imino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILES[H]/N=C1\CC(CCC)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NO/c1-2-4-10-8-12(19)13(14(10)20)9-5-3-6-11(7-9)15(16,17)18/h3,5-7,10,13,19H,2,4,8H2,1H3/b19-12+
InChIKeyFVYDQEZBLJLYCQ-XDHOZWIPSA-N
XLogP4.20
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenylacetylacetoneimine
CID 54232522
3-Imino-5-(propoxymethylidene)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 56976419
5-(2-Chloroethenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 56977519
3-Imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 56985728
2-[3-Chloro-5-(trifluoromethyl)phenyl]-5-ethyl-3-iminocyclopentan-1-one
CID 56988158
3-Imino-4-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 56991004
2-(3-Fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one
CID 56992192
5-(2-Chloroethenyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57005137
3-Methylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57028376
3-Imino-5-methyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57034527
5-Cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57036328
3-Imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57039382

Frequently Asked Questions

What is the IUPAC name of 3-imino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The IUPAC name of 3-imino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (CID 57080789) is 3-imino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 3-imino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 3-imino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is [H]/N=C1\CC(CCC)C(=O)C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-imino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The InChIKey is FVYDQEZBLJLYCQ-XDHOZWIPSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-2-4-10-8-12(19)13(14(10)20)9-5-3-6-11(7-9)15(16,17)18/h3,5-7,10,13,19H,2,4,8H2,1H3/b19-12+.
What are the key properties of 3-imino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
3-imino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one has a molecular weight of 283.29 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 57080789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).