1,1-dimethyl-2,3-dimethylidenepyrrolidin-1-ium

C8H14N+ — CID 87264788

IUPAC1,1-dimethyl-2,3-dimethylidenepyrrolidin-1-ium
SMILESC=C1CC[N+](C)(C)C1=C
InChIInChI=1S/C8H14N/c1-7-5-6-9(3,4)8(7)2/h1-2,5-6H2,3-4H3/q+1
InChIKeyVUUUNBUKCFGSFP-UHFFFAOYSA-N
MW124.21 g/mol
LogP1.54
Rot. Bonds

About 1,1-dimethyl-2,3-dimethylidenepyrrolidin-1-ium

1,1-dimethyl-2,3-dimethylidenepyrrolidin-1-ium (PubChem CID 87264788) has the molecular formula C8H14N+ and a molecular weight of 124.21 g/mol. Its IUPAC name is 1,1-dimethyl-2,3-dimethylidenepyrrolidin-1-ium.

Molecular Properties

Compound Name1,1-dimethyl-2,3-dimethylidenepyrrolidin-1-ium
PubChem CID87264788
Molecular FormulaC8H14N+
Molecular Weight124.21 g/mol
Exact Mass124.11
IUPAC Name1,1-dimethyl-2,3-dimethylidenepyrrolidin-1-ium
SMILESC=C1CC[N+](C)(C)C1=C
InChIInChI=1S/C8H14N/c1-7-5-6-9(3,4)8(7)2/h1-2,5-6H2,3-4H3/q+1
InChIKeyVUUUNBUKCFGSFP-UHFFFAOYSA-N
XLogP1.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2,3-dimethylidenepyrrolidin-1-ium?
The IUPAC name of 1,1-dimethyl-2,3-dimethylidenepyrrolidin-1-ium (CID 87264788) is 1,1-dimethyl-2,3-dimethylidenepyrrolidin-1-ium.
What is the SMILES notation for 1,1-dimethyl-2,3-dimethylidenepyrrolidin-1-ium?
The canonical SMILES for 1,1-dimethyl-2,3-dimethylidenepyrrolidin-1-ium is C=C1CC[N+](C)(C)C1=C.
What is the InChIKey of 1,1-dimethyl-2,3-dimethylidenepyrrolidin-1-ium?
The InChIKey is VUUUNBUKCFGSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N/c1-7-5-6-9(3,4)8(7)2/h1-2,5-6H2,3-4H3/q+1.
What are the key properties of 1,1-dimethyl-2,3-dimethylidenepyrrolidin-1-ium?
1,1-dimethyl-2,3-dimethylidenepyrrolidin-1-ium has a molecular weight of 124.21 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2,3-dimethylidenepyrrolidin-1-ium is sourced from PubChem (CID 87264788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).