2,5-bis(but-2-enylidene)-1-ethyl-3-methylidenepyrrolidine

C15H21N — CID 123873486

IUPAC2,5-bis(but-2-enylidene)-1-ethyl-3-methylidenepyrrolidine
SMILESC=C1CC(=CC=CC)N(CC)C1=CC=CC
InChIInChI=1S/C15H21N/c1-5-8-10-14-12-13(4)15(11-9-6-2)16(14)7-3/h5-6,8-11H,4,7,12H2,1-3H3
InChIKeyJBWINTKVEKEYCQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.19
Rot. Bonds3

About 2,5-bis(but-2-enylidene)-1-ethyl-3-methylidenepyrrolidine

2,5-bis(but-2-enylidene)-1-ethyl-3-methylidenepyrrolidine (PubChem CID 123873486) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2,5-bis(but-2-enylidene)-1-ethyl-3-methylidenepyrrolidine.

Molecular Properties

Compound Name2,5-bis(but-2-enylidene)-1-ethyl-3-methylidenepyrrolidine
PubChem CID123873486
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2,5-bis(but-2-enylidene)-1-ethyl-3-methylidenepyrrolidine
SMILESC=C1CC(=CC=CC)N(CC)C1=CC=CC
InChIInChI=1S/C15H21N/c1-5-8-10-14-12-13(4)15(11-9-6-2)16(14)7-3/h5-6,8-11H,4,7,12H2,1-3H3
InChIKeyJBWINTKVEKEYCQ-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(but-2-enylidene)-1-ethyl-3-methylidenepyrrolidine?
The IUPAC name of 2,5-bis(but-2-enylidene)-1-ethyl-3-methylidenepyrrolidine (CID 123873486) is 2,5-bis(but-2-enylidene)-1-ethyl-3-methylidenepyrrolidine.
What is the SMILES notation for 2,5-bis(but-2-enylidene)-1-ethyl-3-methylidenepyrrolidine?
The canonical SMILES for 2,5-bis(but-2-enylidene)-1-ethyl-3-methylidenepyrrolidine is C=C1CC(=CC=CC)N(CC)C1=CC=CC.
What is the InChIKey of 2,5-bis(but-2-enylidene)-1-ethyl-3-methylidenepyrrolidine?
The InChIKey is JBWINTKVEKEYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-5-8-10-14-12-13(4)15(11-9-6-2)16(14)7-3/h5-6,8-11H,4,7,12H2,1-3H3.
What are the key properties of 2,5-bis(but-2-enylidene)-1-ethyl-3-methylidenepyrrolidine?
2,5-bis(but-2-enylidene)-1-ethyl-3-methylidenepyrrolidine has a molecular weight of 215.34 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(but-2-enylidene)-1-ethyl-3-methylidenepyrrolidine is sourced from PubChem (CID 123873486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).