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

C16H18F3NO — CID 57028376

IUPAC3-methylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESCCCC1C/C(=N\C)C(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C16H18F3NO/c1-3-5-11-9-13(20-2)14(15(11)21)10-6-4-7-12(8-10)16(17,18)19/h4,6-8,11,14H,3,5,9H2,1-2H3/b20-13+
InChIKeyRINPQDXEMDSTLO-DEDYPNTBSA-N
MW297.32 g/mol
LogP4.25
Rot. Bonds3

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

3-methylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (PubChem CID 57028376) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-methylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-methylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
PubChem CID57028376
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name3-methylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESCCCC1C/C(=N\C)C(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C16H18F3NO/c1-3-5-11-9-13(20-2)14(15(11)21)10-6-4-7-12(8-10)16(17,18)19/h4,6-8,11,14H,3,5,9H2,1-2H3/b20-13+
InChIKeyRINPQDXEMDSTLO-DEDYPNTBSA-N
XLogP4.25
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
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 3-methylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The IUPAC name of 3-methylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (CID 57028376) is 3-methylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 3-methylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 3-methylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is CCCC1C/C(=N\C)C(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 3-methylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The InChIKey is RINPQDXEMDSTLO-DEDYPNTBSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-3-5-11-9-13(20-2)14(15(11)21)10-6-4-7-12(8-10)16(17,18)19/h4,6-8,11,14H,3,5,9H2,1-2H3/b20-13+.
What are the key properties of 3-methylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
3-methylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one has a molecular weight of 297.32 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 57028376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).