1-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]pyrrolidine

C13H24N2 — CID 18547060

IUPAC1-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]pyrrolidine
SMILESCC=C(CN1CCCC1)CN1CCCC1
InChIInChI=1S/C13H24N2/c1-2-13(11-14-7-3-4-8-14)12-15-9-5-6-10-15/h2H,3-12H2,1H3
InChIKeyZHCZHBUNHHRMML-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.12
Rot. Bonds4

About 1-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]pyrrolidine

1-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]pyrrolidine (PubChem CID 18547060) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]pyrrolidine
PubChem CID18547060
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]pyrrolidine
SMILESCC=C(CN1CCCC1)CN1CCCC1
InChIInChI=1S/C13H24N2/c1-2-13(11-14-7-3-4-8-14)12-15-9-5-6-10-15/h2H,3-12H2,1H3
InChIKeyZHCZHBUNHHRMML-UHFFFAOYSA-N
XLogP2.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]pyrrolidine?
The IUPAC name of 1-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]pyrrolidine (CID 18547060) is 1-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]pyrrolidine.
What is the SMILES notation for 1-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]pyrrolidine?
The canonical SMILES for 1-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]pyrrolidine is CC=C(CN1CCCC1)CN1CCCC1.
What is the InChIKey of 1-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]pyrrolidine?
The InChIKey is ZHCZHBUNHHRMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-13(11-14-7-3-4-8-14)12-15-9-5-6-10-15/h2H,3-12H2,1H3.
What are the key properties of 1-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]pyrrolidine?
1-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]pyrrolidine has a molecular weight of 208.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]pyrrolidine is sourced from PubChem (CID 18547060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).