2-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-5-phenyl-3,4-dihydro-2H-pyrrole

C21H23N — CID 162408709

IUPAC2-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-5-phenyl-3,4-dihydro-2H-pyrrole
SMILESCC(C)(/C=C/c1ccccc1)C1CCC(c2ccccc2)=N1
InChIInChI=1S/C21H23N/c1-21(2,16-15-17-9-5-3-6-10-17)20-14-13-19(22-20)18-11-7-4-8-12-18/h3-12,15-16,20H,13-14H2,1-2H3/b16-15+
InChIKeyIBXYFOCDSOEQBZ-FOCLMDBBSA-N
MW289.42 g/mol
LogP5.38
Rot. Bonds4

About 2-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-5-phenyl-3,4-dihydro-2H-pyrrole

2-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-5-phenyl-3,4-dihydro-2H-pyrrole (PubChem CID 162408709) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-5-phenyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-5-phenyl-3,4-dihydro-2H-pyrrole
PubChem CID162408709
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name2-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-5-phenyl-3,4-dihydro-2H-pyrrole
SMILESCC(C)(/C=C/c1ccccc1)C1CCC(c2ccccc2)=N1
InChIInChI=1S/C21H23N/c1-21(2,16-15-17-9-5-3-6-10-17)20-14-13-19(22-20)18-11-7-4-8-12-18/h3-12,15-16,20H,13-14H2,1-2H3/b16-15+
InChIKeyIBXYFOCDSOEQBZ-FOCLMDBBSA-N
XLogP5.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dicyclopropylbut-1-enylbenzene
CID 173296746
2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole
CID 174666856
(2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine
CID 102451598
(E)-4-phenyl-2-trimethylsilylbut-3-en-2-ol
CID 102406299
(E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile
CID 146167998
3,3-dimethylbut-1-enylbenzene;1,2-xylene
CID 173385889
1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101407026
2-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole
CID 11334122
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
tert-butyl (2S)-3,5-diphenyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 138979616
[(1E,4E)-1,5-diphenyl-3-(trifluoromethyl)penta-1,4-dien-3-yl]oxy-trimethylsilane
CID 10714568
ethane;[(Z)-prop-1-enyl]benzene
CID 90831801

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-5-phenyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-5-phenyl-3,4-dihydro-2H-pyrrole (CID 162408709) is 2-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-5-phenyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-5-phenyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-5-phenyl-3,4-dihydro-2H-pyrrole is CC(C)(/C=C/c1ccccc1)C1CCC(c2ccccc2)=N1.
What is the InChIKey of 2-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-5-phenyl-3,4-dihydro-2H-pyrrole?
The InChIKey is IBXYFOCDSOEQBZ-FOCLMDBBSA-N. The full InChI is InChI=1S/C21H23N/c1-21(2,16-15-17-9-5-3-6-10-17)20-14-13-19(22-20)18-11-7-4-8-12-18/h3-12,15-16,20H,13-14H2,1-2H3/b16-15+.
What are the key properties of 2-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-5-phenyl-3,4-dihydro-2H-pyrrole?
2-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-5-phenyl-3,4-dihydro-2H-pyrrole has a molecular weight of 289.42 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-5-phenyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 162408709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).