1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one

C19H23F3N2O2 — CID 156814419

IUPAC1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)Oc1ccccc1N1CCCC1.O=c1ccc(C(F)(F)F)c[nH]1
InChIInChI=1S/C13H19NO.C6H4F3NO/c1-11(2)15-13-8-4-3-7-12(13)14-9-5-6-10-14;7-6(8,9)4-1-2-5(11)10-3-4/h3-4,7-8,11H,5-6,9-10H2,1-2H3;1-3H,(H,10,11)
InChIKeyLAVYXCNOGWSDGJ-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.47
Rot. Bonds3

About 1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one

1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 156814419) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID156814419
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)Oc1ccccc1N1CCCC1.O=c1ccc(C(F)(F)F)c[nH]1
InChIInChI=1S/C13H19NO.C6H4F3NO/c1-11(2)15-13-8-4-3-7-12(13)14-9-5-6-10-14;7-6(8,9)4-1-2-5(11)10-3-4/h3-4,7-8,11H,5-6,9-10H2,1-2H3;1-3H,(H,10,11)
InChIKeyLAVYXCNOGWSDGJ-UHFFFAOYSA-N
XLogP4.47
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-phenyl-2-pyrrolidin-1-ylphenyl)methanol;5-(trifluoromethyl)-1H-pyridin-2-one
CID 156814432
N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 163493568
3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine
CID 117007629
2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 11661747
1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine
CID 130196319
2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]acetamide;hydroiodide
CID 10119252
7-[4-[4-(2-propan-2-yloxyphenyl)-1,4-diazepan-1-yl]butoxy]-1H-quinolin-2-one
CID 56599011
2-(2-propan-2-yloxyphenyl)-1H-pyrazol-5-one
CID 140764063
1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 117008187
5-(N'-ethenylcarbamimidoyl)-2-pyrrolidin-1-ylbenzamide;5-(trifluoromethyl)-1H-pyridin-2-one
CID 156815117
1-(2-propan-2-yloxyphenyl)azetidin-3-amine
CID 117002832
1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one
CID 117026499

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one (CID 156814419) is 1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one is CC(C)Oc1ccccc1N1CCCC1.O=c1ccc(C(F)(F)F)c[nH]1.
What is the InChIKey of 1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is LAVYXCNOGWSDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C6H4F3NO/c1-11(2)15-13-8-4-3-7-12(13)14-9-5-6-10-14;7-6(8,9)4-1-2-5(11)10-3-4/h3-4,7-8,11H,5-6,9-10H2,1-2H3;1-3H,(H,10,11).
What are the key properties of 1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one?
1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 368.40 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 156814419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).