4-[(3-ethenylidene-6-fluoro-4-methyl-1H-isoindol-2-yl)methyl]benzonitrile

C19H15FN2 — CID 163655249

IUPAC4-[(3-ethenylidene-6-fluoro-4-methyl-1H-isoindol-2-yl)methyl]benzonitrile
SMILESC=C=C1c2c(C)cc(F)cc2CN1Cc1ccc(C#N)cc1
InChIInChI=1S/C19H15FN2/c1-3-18-19-13(2)8-17(20)9-16(19)12-22(18)11-15-6-4-14(10-21)5-7-15/h4-9H,1,11-12H2,2H3
InChIKeyIPQUXAVVCWXWKY-UHFFFAOYSA-N
MW290.34 g/mol
LogP4.15
Rot. Bonds2

About 4-[(3-ethenylidene-6-fluoro-4-methyl-1H-isoindol-2-yl)methyl]benzonitrile

4-[(3-ethenylidene-6-fluoro-4-methyl-1H-isoindol-2-yl)methyl]benzonitrile (PubChem CID 163655249) has the molecular formula C19H15FN2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-[(3-ethenylidene-6-fluoro-4-methyl-1H-isoindol-2-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(3-ethenylidene-6-fluoro-4-methyl-1H-isoindol-2-yl)methyl]benzonitrile
PubChem CID163655249
Molecular FormulaC19H15FN2
Molecular Weight290.34 g/mol
Exact Mass290.12
IUPAC Name4-[(3-ethenylidene-6-fluoro-4-methyl-1H-isoindol-2-yl)methyl]benzonitrile
SMILESC=C=C1c2c(C)cc(F)cc2CN1Cc1ccc(C#N)cc1
InChIInChI=1S/C19H15FN2/c1-3-18-19-13(2)8-17(20)9-16(19)12-22(18)11-15-6-4-14(10-21)5-7-15/h4-9H,1,11-12H2,2H3
InChIKeyIPQUXAVVCWXWKY-UHFFFAOYSA-N
XLogP4.15
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethenylidene-6-fluoro-4-methyl-1H-isoindol-2-yl)methyl]benzonitrile?
The IUPAC name of 4-[(3-ethenylidene-6-fluoro-4-methyl-1H-isoindol-2-yl)methyl]benzonitrile (CID 163655249) is 4-[(3-ethenylidene-6-fluoro-4-methyl-1H-isoindol-2-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(3-ethenylidene-6-fluoro-4-methyl-1H-isoindol-2-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(3-ethenylidene-6-fluoro-4-methyl-1H-isoindol-2-yl)methyl]benzonitrile is C=C=C1c2c(C)cc(F)cc2CN1Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[(3-ethenylidene-6-fluoro-4-methyl-1H-isoindol-2-yl)methyl]benzonitrile?
The InChIKey is IPQUXAVVCWXWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2/c1-3-18-19-13(2)8-17(20)9-16(19)12-22(18)11-15-6-4-14(10-21)5-7-15/h4-9H,1,11-12H2,2H3.
What are the key properties of 4-[(3-ethenylidene-6-fluoro-4-methyl-1H-isoindol-2-yl)methyl]benzonitrile?
4-[(3-ethenylidene-6-fluoro-4-methyl-1H-isoindol-2-yl)methyl]benzonitrile has a molecular weight of 290.34 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethenylidene-6-fluoro-4-methyl-1H-isoindol-2-yl)methyl]benzonitrile is sourced from PubChem (CID 163655249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).