4-methyl-5-methylidene-2-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrole-3-carbonitrile

C14H9F3N2O2 — CID 24958329

IUPAC4-methyl-5-methylidene-2-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrole-3-carbonitrile
SMILESC=C1C(C)=C(C#N)C(=O)N1c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H9F3N2O2/c1-8-9(2)19(13(20)10(8)7-18)11-5-3-4-6-12(11)21-14(15,16)17/h3-6H,2H2,1H3
InChIKeyABYHAOQGCJJHBD-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.29
Rot. Bonds2

About 4-methyl-5-methylidene-2-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrole-3-carbonitrile

4-methyl-5-methylidene-2-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrole-3-carbonitrile (PubChem CID 24958329) has the molecular formula C14H9F3N2O2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 4-methyl-5-methylidene-2-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrole-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-5-methylidene-2-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrole-3-carbonitrile
PubChem CID24958329
Molecular FormulaC14H9F3N2O2
Molecular Weight294.23 g/mol
Exact Mass294.06
IUPAC Name4-methyl-5-methylidene-2-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrole-3-carbonitrile
SMILESC=C1C(C)=C(C#N)C(=O)N1c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H9F3N2O2/c1-8-9(2)19(13(20)10(8)7-18)11-5-3-4-6-12(11)21-14(15,16)17/h3-6H,2H2,1H3
InChIKeyABYHAOQGCJJHBD-UHFFFAOYSA-N
XLogP3.29
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylidene-2-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrole-3-carbonitrile?
The IUPAC name of 4-methyl-5-methylidene-2-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrole-3-carbonitrile (CID 24958329) is 4-methyl-5-methylidene-2-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrole-3-carbonitrile.
What is the SMILES notation for 4-methyl-5-methylidene-2-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrole-3-carbonitrile?
The canonical SMILES for 4-methyl-5-methylidene-2-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrole-3-carbonitrile is C=C1C(C)=C(C#N)C(=O)N1c1ccccc1OC(F)(F)F.
What is the InChIKey of 4-methyl-5-methylidene-2-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrole-3-carbonitrile?
The InChIKey is ABYHAOQGCJJHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2/c1-8-9(2)19(13(20)10(8)7-18)11-5-3-4-6-12(11)21-14(15,16)17/h3-6H,2H2,1H3.
What are the key properties of 4-methyl-5-methylidene-2-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrole-3-carbonitrile?
4-methyl-5-methylidene-2-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrole-3-carbonitrile has a molecular weight of 294.23 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylidene-2-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrole-3-carbonitrile is sourced from PubChem (CID 24958329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).