2-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole

C18H17N — CID 11334122

IUPAC2-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole
SMILESC(=C/c1ccccc1)\C1=NC(c2ccccc2)CC1
InChIInChI=1S/C18H17N/c1-3-7-15(8-4-1)11-12-17-13-14-18(19-17)16-9-5-2-6-10-16/h1-12,18H,13-14H2/b12-11+
InChIKeyFQMCTRQPRMWGRE-VAWYXSNFSA-N
MW247.34 g/mol
LogP4.68
Rot. Bonds3

About 2-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole

2-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 11334122) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole
PubChem CID11334122
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name2-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole
SMILESC(=C/c1ccccc1)\C1=NC(c2ccccc2)CC1
InChIInChI=1S/C18H17N/c1-3-7-15(8-4-1)11-12-17-13-14-18(19-17)16-9-5-2-6-10-16/h1-12,18H,13-14H2/b12-11+
InChIKeyFQMCTRQPRMWGRE-VAWYXSNFSA-N
XLogP4.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methylsulfanyl-2-phenyl-3,4-dihydro-2H-pyrrole
CID 86171847
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(2S)-2-phenyl-4-(2-phenylethenyl)-2,3-dihydro-1H-1,5-benzodiazepine
CID 1207309
2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine
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bis[(E)-2-phenylethenyl]-bis[4-[(E)-2-phenylethenyl]phenyl]silane
CID 20654544
CID 70567885
CID 70567885
CID 70569152
CID 70569152
3,6-diphenyl-3,4,5,6-tetrahydropyridazine
CID 14591674
5-(2-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole
CID 18335732
1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene
CID 168854089
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hydride;rubidium(1+);stilbene
CID 173437843

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole (CID 11334122) is 2-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole is C(=C/c1ccccc1)\C1=NC(c2ccccc2)CC1.
What is the InChIKey of 2-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is FQMCTRQPRMWGRE-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H17N/c1-3-7-15(8-4-1)11-12-17-13-14-18(19-17)16-9-5-2-6-10-16/h1-12,18H,13-14H2/b12-11+.
What are the key properties of 2-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole?
2-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 247.34 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 11334122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).