3-methyl-1-[(E)-2-methylbut-2-enyl]pyrrolidine

C10H19N — CID 138487186

IUPAC3-methyl-1-[(E)-2-methylbut-2-enyl]pyrrolidine
SMILESC/C=C(\C)CN1CCC(C)C1
InChIInChI=1S/C10H19N/c1-4-9(2)7-11-6-5-10(3)8-11/h4,10H,5-8H2,1-3H3/b9-4+
InChIKeyOAZOKSUFEVGOFO-RUDMXATFSA-N
MW153.27 g/mol
LogP2.29
Rot. Bonds2

About 3-methyl-1-[(E)-2-methylbut-2-enyl]pyrrolidine

3-methyl-1-[(E)-2-methylbut-2-enyl]pyrrolidine (PubChem CID 138487186) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-methyl-1-[(E)-2-methylbut-2-enyl]pyrrolidine.

Molecular Properties

Compound Name3-methyl-1-[(E)-2-methylbut-2-enyl]pyrrolidine
PubChem CID138487186
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-methyl-1-[(E)-2-methylbut-2-enyl]pyrrolidine
SMILESC/C=C(\C)CN1CCC(C)C1
InChIInChI=1S/C10H19N/c1-4-9(2)7-11-6-5-10(3)8-11/h4,10H,5-8H2,1-3H3/b9-4+
InChIKeyOAZOKSUFEVGOFO-RUDMXATFSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.29
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 3-methyl-1-[(E)-2-methylbut-2-enyl]pyrrolidine?
The IUPAC name of 3-methyl-1-[(E)-2-methylbut-2-enyl]pyrrolidine (CID 138487186) is 3-methyl-1-[(E)-2-methylbut-2-enyl]pyrrolidine.
What is the SMILES notation for 3-methyl-1-[(E)-2-methylbut-2-enyl]pyrrolidine?
The canonical SMILES for 3-methyl-1-[(E)-2-methylbut-2-enyl]pyrrolidine is C/C=C(\C)CN1CCC(C)C1.
What is the InChIKey of 3-methyl-1-[(E)-2-methylbut-2-enyl]pyrrolidine?
The InChIKey is OAZOKSUFEVGOFO-RUDMXATFSA-N. The full InChI is InChI=1S/C10H19N/c1-4-9(2)7-11-6-5-10(3)8-11/h4,10H,5-8H2,1-3H3/b9-4+.
What are the key properties of 3-methyl-1-[(E)-2-methylbut-2-enyl]pyrrolidine?
3-methyl-1-[(E)-2-methylbut-2-enyl]pyrrolidine has a molecular weight of 153.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(E)-2-methylbut-2-enyl]pyrrolidine is sourced from PubChem (CID 138487186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).