5-ethyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one

C15H16F3NO — CID 15672500

IUPAC5-ethyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCCC1CC(NC)=C(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C15H16F3NO/c1-3-9-8-12(19-2)13(14(9)20)10-5-4-6-11(7-10)15(16,17)18/h4-7,9,19H,3,8H2,1-2H3
InChIKeyAYGVDLRCQVRBJK-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.63
Rot. Bonds3

About 5-ethyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one

5-ethyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (PubChem CID 15672500) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-ethyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name5-ethyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
PubChem CID15672500
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name5-ethyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCCC1CC(NC)=C(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C15H16F3NO/c1-3-9-8-12(19-2)13(14(9)20)10-5-4-6-11(7-10)15(16,17)18/h4-7,9,19H,3,8H2,1-2H3
InChIKeyAYGVDLRCQVRBJK-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The IUPAC name of 5-ethyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (CID 15672500) is 5-ethyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.
What is the SMILES notation for 5-ethyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The canonical SMILES for 5-ethyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is CCC1CC(NC)=C(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 5-ethyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The InChIKey is AYGVDLRCQVRBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-3-9-8-12(19-2)13(14(9)20)10-5-4-6-11(7-10)15(16,17)18/h4-7,9,19H,3,8H2,1-2H3.
What are the key properties of 5-ethyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
5-ethyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one has a molecular weight of 283.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is sourced from PubChem (CID 15672500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).