but-1-ene;1-methylpyrrolidin-1-ium

C9H20N+ — CID 143096837

IUPACbut-1-ene;1-methylpyrrolidin-1-ium
SMILESC=CCC.C[NH+]1CCCC1
InChIInChI=1S/C5H11N.C4H8/c1-6-4-2-3-5-6;1-3-4-2/h2-5H2,1H3;3H,1,4H2,2H3/p+1
InChIKeyIPXHECDQTZEKFP-UHFFFAOYSA-O
MW142.27 g/mol
LogP0.88
Rot. Bonds1

About but-1-ene;1-methylpyrrolidin-1-ium

but-1-ene;1-methylpyrrolidin-1-ium (PubChem CID 143096837) has the molecular formula C9H20N+ and a molecular weight of 142.27 g/mol. Its IUPAC name is but-1-ene;1-methylpyrrolidin-1-ium.

Molecular Properties

Compound Namebut-1-ene;1-methylpyrrolidin-1-ium
PubChem CID143096837
Molecular FormulaC9H20N+
Molecular Weight142.27 g/mol
Exact Mass142.16
IUPAC Namebut-1-ene;1-methylpyrrolidin-1-ium
SMILESC=CCC.C[NH+]1CCCC1
InChIInChI=1S/C5H11N.C4H8/c1-6-4-2-3-5-6;1-3-4-2/h2-5H2,1H3;3H,1,4H2,2H3/p+1
InChIKeyIPXHECDQTZEKFP-UHFFFAOYSA-O
XLogP0.88
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 but-1-ene;1-methylpyrrolidin-1-ium?
The IUPAC name of but-1-ene;1-methylpyrrolidin-1-ium (CID 143096837) is but-1-ene;1-methylpyrrolidin-1-ium.
What is the SMILES notation for but-1-ene;1-methylpyrrolidin-1-ium?
The canonical SMILES for but-1-ene;1-methylpyrrolidin-1-ium is C=CCC.C[NH+]1CCCC1.
What is the InChIKey of but-1-ene;1-methylpyrrolidin-1-ium?
The InChIKey is IPXHECDQTZEKFP-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11N.C4H8/c1-6-4-2-3-5-6;1-3-4-2/h2-5H2,1H3;3H,1,4H2,2H3/p+1.
What are the key properties of but-1-ene;1-methylpyrrolidin-1-ium?
but-1-ene;1-methylpyrrolidin-1-ium has a molecular weight of 142.27 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;1-methylpyrrolidin-1-ium is sourced from PubChem (CID 143096837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).