(2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine

C8H15NO — CID 126669652

IUPAC(2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine
SMILESCO/C=C/[C@H]1CCCN1C
InChIInChI=1S/C8H15NO/c1-9-6-3-4-8(9)5-7-10-2/h5,7-8H,3-4,6H2,1-2H3/b7-5+/t8-/m1/s1
InChIKeyNUHDQRNDGBQIFR-WVXIBAHESA-N
MW141.21 g/mol
LogP1.24
Rot. Bonds2

About (2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine

(2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine (PubChem CID 126669652) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine
PubChem CID126669652
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine
SMILESCO/C=C/[C@H]1CCCN1C
InChIInChI=1S/C8H15NO/c1-9-6-3-4-8(9)5-7-10-2/h5,7-8H,3-4,6H2,1-2H3/b7-5+/t8-/m1/s1
InChIKeyNUHDQRNDGBQIFR-WVXIBAHESA-N
XLogP1.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine?
The IUPAC name of (2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine (CID 126669652) is (2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine?
The canonical SMILES for (2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine is CO/C=C/[C@H]1CCCN1C.
What is the InChIKey of (2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine?
The InChIKey is NUHDQRNDGBQIFR-WVXIBAHESA-N. The full InChI is InChI=1S/C8H15NO/c1-9-6-3-4-8(9)5-7-10-2/h5,7-8H,3-4,6H2,1-2H3/b7-5+/t8-/m1/s1.
What are the key properties of (2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine?
(2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine has a molecular weight of 141.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine is sourced from PubChem (CID 126669652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).