1-(2-methylprop-2-enyl)pyrrolidin-1-ium

C8H16N+ — CID 51669718

IUPAC1-(2-methylprop-2-enyl)pyrrolidin-1-ium
SMILESC=C(C)C[NH+]1CCCC1
InChIInChI=1S/C8H15N/c1-8(2)7-9-5-3-4-6-9/h1,3-7H2,2H3/p+1
InChIKeyCXNNOOVNAJCPLQ-UHFFFAOYSA-O
MW126.22 g/mol
LogP0.24
Rot. Bonds2

About 1-(2-methylprop-2-enyl)pyrrolidin-1-ium

1-(2-methylprop-2-enyl)pyrrolidin-1-ium (PubChem CID 51669718) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)pyrrolidin-1-ium.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)pyrrolidin-1-ium
PubChem CID51669718
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Name1-(2-methylprop-2-enyl)pyrrolidin-1-ium
SMILESC=C(C)C[NH+]1CCCC1
InChIInChI=1S/C8H15N/c1-8(2)7-9-5-3-4-6-9/h1,3-7H2,2H3/p+1
InChIKeyCXNNOOVNAJCPLQ-UHFFFAOYSA-O
XLogP0.24
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 50.24
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 1-(2-methylprop-2-enyl)pyrrolidin-1-ium?
The IUPAC name of 1-(2-methylprop-2-enyl)pyrrolidin-1-ium (CID 51669718) is 1-(2-methylprop-2-enyl)pyrrolidin-1-ium.
What is the SMILES notation for 1-(2-methylprop-2-enyl)pyrrolidin-1-ium?
The canonical SMILES for 1-(2-methylprop-2-enyl)pyrrolidin-1-ium is C=C(C)C[NH+]1CCCC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)pyrrolidin-1-ium?
The InChIKey is CXNNOOVNAJCPLQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15N/c1-8(2)7-9-5-3-4-6-9/h1,3-7H2,2H3/p+1.
What are the key properties of 1-(2-methylprop-2-enyl)pyrrolidin-1-ium?
1-(2-methylprop-2-enyl)pyrrolidin-1-ium has a molecular weight of 126.22 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)pyrrolidin-1-ium is sourced from PubChem (CID 51669718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).