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

C18H20F3NO — CID 22153254

IUPAC5-cyclopentyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(C2CCCC2)C1
InChIInChI=1S/C18H20F3NO/c1-22-15-10-14(11-5-2-3-6-11)17(23)16(15)12-7-4-8-13(9-12)18(19,20)21/h4,7-9,11,14,22H,2-3,5-6,10H2,1H3
InChIKeyMALSKEFOFUCITG-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.42
Rot. Bonds3

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

5-cyclopentyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (PubChem CID 22153254) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-cyclopentyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name5-cyclopentyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
PubChem CID22153254
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name5-cyclopentyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(C2CCCC2)C1
InChIInChI=1S/C18H20F3NO/c1-22-15-10-14(11-5-2-3-6-11)17(23)16(15)12-7-4-8-13(9-12)18(19,20)21/h4,7-9,11,14,22H,2-3,5-6,10H2,1H3
InChIKeyMALSKEFOFUCITG-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-3-(ethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153153
5-ethyl-3-(methoxymethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153223
3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153157
3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153066
5-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one
CID 138402746
(1R,5S)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]bicyclo[3.2.1]octane-2,4-dione
CID 90722662
methyl N-[4-ethyl-3-oxo-2-[3-(trifluoromethyl)phenyl]cyclopenten-1-yl]-N-methylcarbamate
CID 70426462
4-hydroxy-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]bicyclo[3.2.1]oct-3-en-2-one
CID 76807968
methyl 4-(furan-2-yl)-5-(methylamino)-3-oxo-2-[3-(trifluoromethyl)phenyl]cyclopentene-1-carboxylate
CID 154390829
5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one
CID 70456358
2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one
CID 22153096
N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine
CID 115478131

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The IUPAC name of 5-cyclopentyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (CID 22153254) is 5-cyclopentyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.
What is the SMILES notation for 5-cyclopentyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The canonical SMILES for 5-cyclopentyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is CNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(C2CCCC2)C1.
What is the InChIKey of 5-cyclopentyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The InChIKey is MALSKEFOFUCITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO/c1-22-15-10-14(11-5-2-3-6-11)17(23)16(15)12-7-4-8-13(9-12)18(19,20)21/h4,7-9,11,14,22H,2-3,5-6,10H2,1H3.
What are the key properties of 5-cyclopentyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
5-cyclopentyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one has a molecular weight of 323.36 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is sourced from PubChem (CID 22153254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).