(5E)-4-methylidene-5-[(E)-2-[4-(trifluoromethoxy)phenyl]but-2-enylidene]pyrrolidin-2-one;molecular hydrogen

C16H16F3NO2 — CID 142412818

IUPAC(5E)-4-methylidene-5-[(E)-2-[4-(trifluoromethoxy)phenyl]but-2-enylidene]pyrrolidin-2-one;molecular hydrogen
SMILESC=C1CC(=O)N/C1=C/C(=C\C)c1ccc(OC(F)(F)F)cc1.[H][H]
InChIInChI=1S/C16H14F3NO2.H2/c1-3-11(9-14-10(2)8-15(21)20-14)12-4-6-13(7-5-12)22-16(17,18)19;/h3-7,9H,2,8H2,1H3,(H,20,21);1H/b11-3+,14-9+;
InChIKeyUESAEJUDYIAXOC-XGGVPTPVSA-N
MW311.30 g/mol
LogP4.19
Rot. Bonds3

About (5E)-4-methylidene-5-[(E)-2-[4-(trifluoromethoxy)phenyl]but-2-enylidene]pyrrolidin-2-one;molecular hydrogen

(5E)-4-methylidene-5-[(E)-2-[4-(trifluoromethoxy)phenyl]but-2-enylidene]pyrrolidin-2-one;molecular hydrogen (PubChem CID 142412818) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is (5E)-4-methylidene-5-[(E)-2-[4-(trifluoromethoxy)phenyl]but-2-enylidene]pyrrolidin-2-one;molecular hydrogen.

Molecular Properties

Compound Name(5E)-4-methylidene-5-[(E)-2-[4-(trifluoromethoxy)phenyl]but-2-enylidene]pyrrolidin-2-one;molecular hydrogen
PubChem CID142412818
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name(5E)-4-methylidene-5-[(E)-2-[4-(trifluoromethoxy)phenyl]but-2-enylidene]pyrrolidin-2-one;molecular hydrogen
SMILESC=C1CC(=O)N/C1=C/C(=C\C)c1ccc(OC(F)(F)F)cc1.[H][H]
InChIInChI=1S/C16H14F3NO2.H2/c1-3-11(9-14-10(2)8-15(21)20-14)12-4-6-13(7-5-12)22-16(17,18)19;/h3-7,9H,2,8H2,1H3,(H,20,21);1H/b11-3+,14-9+;
InChIKeyUESAEJUDYIAXOC-XGGVPTPVSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(4-methoxyphenyl)-2-methylacryloyl]-4,6-dimethyl-2(1H)-pyridinone
CID 5721431
(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 44627215
4-(4'-methoxyphenyl)-5-methylene-2(5H)pyrolone
CID 86691032
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 45876815
4-hydroxy-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one
CID 177656749
N-[(E)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-enyl]acetamide
CID 134838889
N-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide
CID 135086070
4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 138970268
1-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]pyrrolidin-2-one
CID 154721410
N-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide
CID 12470149
3,3,3-trifluoro-N-{1-[2-(4-methoxyphenyl)ethyl]-5-oxo-3-pyrrolidinyl}propanamide
CID 45244432
1-ethyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 47043801

Frequently Asked Questions

What is the IUPAC name of (5E)-4-methylidene-5-[(E)-2-[4-(trifluoromethoxy)phenyl]but-2-enylidene]pyrrolidin-2-one;molecular hydrogen?
The IUPAC name of (5E)-4-methylidene-5-[(E)-2-[4-(trifluoromethoxy)phenyl]but-2-enylidene]pyrrolidin-2-one;molecular hydrogen (CID 142412818) is (5E)-4-methylidene-5-[(E)-2-[4-(trifluoromethoxy)phenyl]but-2-enylidene]pyrrolidin-2-one;molecular hydrogen.
What is the SMILES notation for (5E)-4-methylidene-5-[(E)-2-[4-(trifluoromethoxy)phenyl]but-2-enylidene]pyrrolidin-2-one;molecular hydrogen?
The canonical SMILES for (5E)-4-methylidene-5-[(E)-2-[4-(trifluoromethoxy)phenyl]but-2-enylidene]pyrrolidin-2-one;molecular hydrogen is C=C1CC(=O)N/C1=C/C(=C\C)c1ccc(OC(F)(F)F)cc1.[H][H].
What is the InChIKey of (5E)-4-methylidene-5-[(E)-2-[4-(trifluoromethoxy)phenyl]but-2-enylidene]pyrrolidin-2-one;molecular hydrogen?
The InChIKey is UESAEJUDYIAXOC-XGGVPTPVSA-N. The full InChI is InChI=1S/C16H14F3NO2.H2/c1-3-11(9-14-10(2)8-15(21)20-14)12-4-6-13(7-5-12)22-16(17,18)19;/h3-7,9H,2,8H2,1H3,(H,20,21);1H/b11-3+,14-9+;.
What are the key properties of (5E)-4-methylidene-5-[(E)-2-[4-(trifluoromethoxy)phenyl]but-2-enylidene]pyrrolidin-2-one;molecular hydrogen?
(5E)-4-methylidene-5-[(E)-2-[4-(trifluoromethoxy)phenyl]but-2-enylidene]pyrrolidin-2-one;molecular hydrogen has a molecular weight of 311.30 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-methylidene-5-[(E)-2-[4-(trifluoromethoxy)phenyl]but-2-enylidene]pyrrolidin-2-one;molecular hydrogen is sourced from PubChem (CID 142412818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).