2-[4-[(Z)-but-1-enyl]-1-methylpyrrolidin-3-yl]oxyethanamine

C11H22N2O — CID 142374710

IUPAC2-[4-[(Z)-but-1-enyl]-1-methylpyrrolidin-3-yl]oxyethanamine
SMILESCC/C=C\C1CN(C)CC1OCCN
InChIInChI=1S/C11H22N2O/c1-3-4-5-10-8-13(2)9-11(10)14-7-6-12/h4-5,10-11H,3,6-9,12H2,1-2H3/b5-4-
InChIKeyZZBMTOVSLCQFDE-PLNGDYQASA-N
MW198.31 g/mol
LogP0.86
Rot. Bonds5

About 2-[4-[(Z)-but-1-enyl]-1-methylpyrrolidin-3-yl]oxyethanamine

2-[4-[(Z)-but-1-enyl]-1-methylpyrrolidin-3-yl]oxyethanamine (PubChem CID 142374710) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[4-[(Z)-but-1-enyl]-1-methylpyrrolidin-3-yl]oxyethanamine.

Molecular Properties

Compound Name2-[4-[(Z)-but-1-enyl]-1-methylpyrrolidin-3-yl]oxyethanamine
PubChem CID142374710
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[4-[(Z)-but-1-enyl]-1-methylpyrrolidin-3-yl]oxyethanamine
SMILESCC/C=C\C1CN(C)CC1OCCN
InChIInChI=1S/C11H22N2O/c1-3-4-5-10-8-13(2)9-11(10)14-7-6-12/h4-5,10-11H,3,6-9,12H2,1-2H3/b5-4-
InChIKeyZZBMTOVSLCQFDE-PLNGDYQASA-N
XLogP0.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[4-[(Z)-but-1-enyl]-1-methylpyrrolidin-3-yl]oxyethanamine?
The IUPAC name of 2-[4-[(Z)-but-1-enyl]-1-methylpyrrolidin-3-yl]oxyethanamine (CID 142374710) is 2-[4-[(Z)-but-1-enyl]-1-methylpyrrolidin-3-yl]oxyethanamine.
What is the SMILES notation for 2-[4-[(Z)-but-1-enyl]-1-methylpyrrolidin-3-yl]oxyethanamine?
The canonical SMILES for 2-[4-[(Z)-but-1-enyl]-1-methylpyrrolidin-3-yl]oxyethanamine is CC/C=C\C1CN(C)CC1OCCN.
What is the InChIKey of 2-[4-[(Z)-but-1-enyl]-1-methylpyrrolidin-3-yl]oxyethanamine?
The InChIKey is ZZBMTOVSLCQFDE-PLNGDYQASA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-4-5-10-8-13(2)9-11(10)14-7-6-12/h4-5,10-11H,3,6-9,12H2,1-2H3/b5-4-.
What are the key properties of 2-[4-[(Z)-but-1-enyl]-1-methylpyrrolidin-3-yl]oxyethanamine?
2-[4-[(Z)-but-1-enyl]-1-methylpyrrolidin-3-yl]oxyethanamine has a molecular weight of 198.31 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-but-1-enyl]-1-methylpyrrolidin-3-yl]oxyethanamine is sourced from PubChem (CID 142374710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).