2-methyl-4,4-bis(prop-2-enyl)pyrrolidine

C11H19N — CID 73219360

IUPAC2-methyl-4,4-bis(prop-2-enyl)pyrrolidine
SMILESC=CCC1(CC=C)CNC(C)C1
InChIInChI=1S/C11H19N/c1-4-6-11(7-5-2)8-10(3)12-9-11/h4-5,10,12H,1-2,6-9H2,3H3
InChIKeyZSWAJFFWIIAADJ-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.51
Rot. Bonds4

About 2-methyl-4,4-bis(prop-2-enyl)pyrrolidine

2-methyl-4,4-bis(prop-2-enyl)pyrrolidine (PubChem CID 73219360) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-methyl-4,4-bis(prop-2-enyl)pyrrolidine.

Molecular Properties

Compound Name2-methyl-4,4-bis(prop-2-enyl)pyrrolidine
PubChem CID73219360
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-methyl-4,4-bis(prop-2-enyl)pyrrolidine
SMILESC=CCC1(CC=C)CNC(C)C1
InChIInChI=1S/C11H19N/c1-4-6-11(7-5-2)8-10(3)12-9-11/h4-5,10,12H,1-2,6-9H2,3H3
InChIKeyZSWAJFFWIIAADJ-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
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 2-methyl-4,4-bis(prop-2-enyl)pyrrolidine?
The IUPAC name of 2-methyl-4,4-bis(prop-2-enyl)pyrrolidine (CID 73219360) is 2-methyl-4,4-bis(prop-2-enyl)pyrrolidine.
What is the SMILES notation for 2-methyl-4,4-bis(prop-2-enyl)pyrrolidine?
The canonical SMILES for 2-methyl-4,4-bis(prop-2-enyl)pyrrolidine is C=CCC1(CC=C)CNC(C)C1.
What is the InChIKey of 2-methyl-4,4-bis(prop-2-enyl)pyrrolidine?
The InChIKey is ZSWAJFFWIIAADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-6-11(7-5-2)8-10(3)12-9-11/h4-5,10,12H,1-2,6-9H2,3H3.
What are the key properties of 2-methyl-4,4-bis(prop-2-enyl)pyrrolidine?
2-methyl-4,4-bis(prop-2-enyl)pyrrolidine has a molecular weight of 165.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,4-bis(prop-2-enyl)pyrrolidine is sourced from PubChem (CID 73219360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).