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

C10H19N — CID 59252384

IUPAC1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine
SMILESCC(C)/C=C/C1CCCN1C
InChIInChI=1S/C10H19N/c1-9(2)6-7-10-5-4-8-11(10)3/h6-7,9-10H,4-5,8H2,1-3H3/b7-6+
InChIKeyWRYPLPUMLAIZOD-VOTSOKGWSA-N
MW153.27 g/mol
LogP2.29
Rot. Bonds2

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

1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine (PubChem CID 59252384) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine
PubChem CID59252384
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine
SMILESCC(C)/C=C/C1CCCN1C
InChIInChI=1S/C10H19N/c1-9(2)6-7-10-5-4-8-11(10)3/h6-7,9-10H,4-5,8H2,1-3H3/b7-6+
InChIKeyWRYPLPUMLAIZOD-VOTSOKGWSA-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 1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
The IUPAC name of 1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine (CID 59252384) is 1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine.
What is the SMILES notation for 1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
The canonical SMILES for 1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine is CC(C)/C=C/C1CCCN1C.
What is the InChIKey of 1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
The InChIKey is WRYPLPUMLAIZOD-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2)6-7-10-5-4-8-11(10)3/h6-7,9-10H,4-5,8H2,1-3H3/b7-6+.
What are the key properties of 1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
1-methyl-2-[(E)-3-methylbut-1-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 1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine is sourced from PubChem (CID 59252384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).