2-ethenyl-1-[1-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]ethenyl]pyrrolidine

C21H27N — CID 143367393

IUPAC2-ethenyl-1-[1-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]ethenyl]pyrrolidine
SMILESC=CC1CCCN1C(=C)c1ccccc1/C(C)=C/C=C(C)C
InChIInChI=1S/C21H27N/c1-6-19-10-9-15-22(19)18(5)21-12-8-7-11-20(21)17(4)14-13-16(2)3/h6-8,11-14,19H,1,5,9-10,15H2,2-4H3/b17-14+
InChIKeyULOGEHJAFKHJST-SAPNQHFASA-N
MW293.45 g/mol
LogP5.68
Rot. Bonds5

About 2-ethenyl-1-[1-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]ethenyl]pyrrolidine

2-ethenyl-1-[1-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]ethenyl]pyrrolidine (PubChem CID 143367393) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-ethenyl-1-[1-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]ethenyl]pyrrolidine.

Molecular Properties

Compound Name2-ethenyl-1-[1-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]ethenyl]pyrrolidine
PubChem CID143367393
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name2-ethenyl-1-[1-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]ethenyl]pyrrolidine
SMILESC=CC1CCCN1C(=C)c1ccccc1/C(C)=C/C=C(C)C
InChIInChI=1S/C21H27N/c1-6-19-10-9-15-22(19)18(5)21-12-8-7-11-20(21)17(4)14-13-16(2)3/h6-8,11-14,19H,1,5,9-10,15H2,2-4H3/b17-14+
InChIKeyULOGEHJAFKHJST-SAPNQHFASA-N
XLogP5.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-[1-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]ethenyl]pyrrolidine?
The IUPAC name of 2-ethenyl-1-[1-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]ethenyl]pyrrolidine (CID 143367393) is 2-ethenyl-1-[1-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]ethenyl]pyrrolidine.
What is the SMILES notation for 2-ethenyl-1-[1-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]ethenyl]pyrrolidine?
The canonical SMILES for 2-ethenyl-1-[1-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]ethenyl]pyrrolidine is C=CC1CCCN1C(=C)c1ccccc1/C(C)=C/C=C(C)C.
What is the InChIKey of 2-ethenyl-1-[1-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]ethenyl]pyrrolidine?
The InChIKey is ULOGEHJAFKHJST-SAPNQHFASA-N. The full InChI is InChI=1S/C21H27N/c1-6-19-10-9-15-22(19)18(5)21-12-8-7-11-20(21)17(4)14-13-16(2)3/h6-8,11-14,19H,1,5,9-10,15H2,2-4H3/b17-14+.
What are the key properties of 2-ethenyl-1-[1-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]ethenyl]pyrrolidine?
2-ethenyl-1-[1-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]ethenyl]pyrrolidine has a molecular weight of 293.45 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-[1-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]ethenyl]pyrrolidine is sourced from PubChem (CID 143367393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).