1,3-bis(ethenyl)pyrrolidine

C8H13N — CID 121376426

IUPAC1,3-bis(ethenyl)pyrrolidine
SMILESC=CC1CCN(C=C)C1
InChIInChI=1S/C8H13N/c1-3-8-5-6-9(4-2)7-8/h3-4,8H,1-2,5-7H2
InChIKeyASBRNPJHJHPQOI-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.64
Rot. Bonds2

About 1,3-bis(ethenyl)pyrrolidine

1,3-bis(ethenyl)pyrrolidine (PubChem CID 121376426) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1,3-bis(ethenyl)pyrrolidine.

Molecular Properties

Compound Name1,3-bis(ethenyl)pyrrolidine
PubChem CID121376426
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1,3-bis(ethenyl)pyrrolidine
SMILESC=CC1CCN(C=C)C1
InChIInChI=1S/C8H13N/c1-3-8-5-6-9(4-2)7-8/h3-4,8H,1-2,5-7H2
InChIKeyASBRNPJHJHPQOI-UHFFFAOYSA-N
XLogP1.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenyl)pyrrolidine?
The IUPAC name of 1,3-bis(ethenyl)pyrrolidine (CID 121376426) is 1,3-bis(ethenyl)pyrrolidine.
What is the SMILES notation for 1,3-bis(ethenyl)pyrrolidine?
The canonical SMILES for 1,3-bis(ethenyl)pyrrolidine is C=CC1CCN(C=C)C1.
What is the InChIKey of 1,3-bis(ethenyl)pyrrolidine?
The InChIKey is ASBRNPJHJHPQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-8-5-6-9(4-2)7-8/h3-4,8H,1-2,5-7H2.
What are the key properties of 1,3-bis(ethenyl)pyrrolidine?
1,3-bis(ethenyl)pyrrolidine has a molecular weight of 123.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenyl)pyrrolidine is sourced from PubChem (CID 121376426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).