3-amino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one

C15H16F3NO — CID 15672495

IUPAC3-amino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCCCC1CC(N)=C(c2cccc(C(F)(F)F)c2)C1=O
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/h3,5-7,10H,2,4,8,19H2,1H3
InChIKeyTTWHDJOEAIZIAU-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.76
Rot. Bonds3

About 3-amino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one

3-amino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (PubChem CID 15672495) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-amino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-amino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
PubChem CID15672495
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name3-amino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCCCC1CC(N)=C(c2cccc(C(F)(F)F)c2)C1=O
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/h3,5-7,10H,2,4,8,19H2,1H3
InChIKeyTTWHDJOEAIZIAU-UHFFFAOYSA-N
XLogP3.76
TPSA43.09 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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The IUPAC name of 3-amino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (CID 15672495) is 3-amino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-amino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-amino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is CCCC1CC(N)=C(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 3-amino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The InChIKey is TTWHDJOEAIZIAU-UHFFFAOYSA-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/h3,5-7,10H,2,4,8,19H2,1H3.
What are the key properties of 3-amino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
3-amino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one has a molecular weight of 283.29 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is sourced from PubChem (CID 15672495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).