2-[(E)-but-1-enyl]-4-methoxy-1-methylpyrrolidine

C10H19NO — CID 164922342

IUPAC2-[(E)-but-1-enyl]-4-methoxy-1-methylpyrrolidine
SMILESCC/C=C/C1CC(OC)CN1C
InChIInChI=1S/C10H19NO/c1-4-5-6-9-7-10(12-3)8-11(9)2/h5-6,9-10H,4,7-8H2,1-3H3/b6-5+
InChIKeyOESANWTYADDQLX-AATRIKPKSA-N
MW169.27 g/mol
LogP1.67
Rot. Bonds3

About 2-[(E)-but-1-enyl]-4-methoxy-1-methylpyrrolidine

2-[(E)-but-1-enyl]-4-methoxy-1-methylpyrrolidine (PubChem CID 164922342) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]-4-methoxy-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]-4-methoxy-1-methylpyrrolidine
PubChem CID164922342
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[(E)-but-1-enyl]-4-methoxy-1-methylpyrrolidine
SMILESCC/C=C/C1CC(OC)CN1C
InChIInChI=1S/C10H19NO/c1-4-5-6-9-7-10(12-3)8-11(9)2/h5-6,9-10H,4,7-8H2,1-3H3/b6-5+
InChIKeyOESANWTYADDQLX-AATRIKPKSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.67
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 2-[(E)-but-1-enyl]-4-methoxy-1-methylpyrrolidine?
The IUPAC name of 2-[(E)-but-1-enyl]-4-methoxy-1-methylpyrrolidine (CID 164922342) is 2-[(E)-but-1-enyl]-4-methoxy-1-methylpyrrolidine.
What is the SMILES notation for 2-[(E)-but-1-enyl]-4-methoxy-1-methylpyrrolidine?
The canonical SMILES for 2-[(E)-but-1-enyl]-4-methoxy-1-methylpyrrolidine is CC/C=C/C1CC(OC)CN1C.
What is the InChIKey of 2-[(E)-but-1-enyl]-4-methoxy-1-methylpyrrolidine?
The InChIKey is OESANWTYADDQLX-AATRIKPKSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-6-9-7-10(12-3)8-11(9)2/h5-6,9-10H,4,7-8H2,1-3H3/b6-5+.
What are the key properties of 2-[(E)-but-1-enyl]-4-methoxy-1-methylpyrrolidine?
2-[(E)-but-1-enyl]-4-methoxy-1-methylpyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-enyl]-4-methoxy-1-methylpyrrolidine is sourced from PubChem (CID 164922342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).