1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium bromide

C8H14BrN — CID 71421071

IUPAC1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium bromide
SMILESC=C1C[N+](C)(C)CC1=C.[Br-]
InChIInChI=1S/C8H14N.BrH/c1-7-5-9(3,4)6-8(7)2;/h1-2,5-6H2,3-4H3;1H/q+1;/p-1
InChIKeyLJBDXRJZYAHQJQ-UHFFFAOYSA-M
MW204.11 g/mol
LogP-1.81
Rot. Bonds

About 1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium bromide

1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium bromide (PubChem CID 71421071) has the molecular formula C8H14BrN and a molecular weight of 204.11 g/mol. Its IUPAC name is 1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium bromide.

Molecular Properties

Compound Name1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium bromide
PubChem CID71421071
Molecular FormulaC8H14BrN
Molecular Weight204.11 g/mol
Exact Mass203.03
IUPAC Name1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium bromide
SMILESC=C1C[N+](C)(C)CC1=C.[Br-]
InChIInChI=1S/C8H14N.BrH/c1-7-5-9(3,4)6-8(7)2;/h1-2,5-6H2,3-4H3;1H/q+1;/p-1
InChIKeyLJBDXRJZYAHQJQ-UHFFFAOYSA-M
XLogP-1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 5-1.81
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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Related Compounds

1-Methyl-3,4-dimethylidenepyrrolidine
CID 12607505
1,1-Dimethyl-3,4-dimethylidenepyrrolidin-1-ium iodide
CID 12607512
1,1-Dimethyl-3,4-dimethylenepyrrolidin-1-ium chloride
CID 15930704
(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine
CID 169182017
(3E)-3-(fluoromethylidene)-1-methylpyrrolidine
CID 172577303
Pyrrolidine, N-(3-methyl-3-butenyl)-
CID 558410
1,1-Dimethyl-3-methylidenepyrrolidin-1-ium bromide
CID 10583890
1-Tert-butyl-3,4-dimethylidenepyrrolidine
CID 12607507
3-Methyl-1-pyrrolidin-1-ylbut-3-ene-1-selone
CID 85701734
1-(2-Methylbuta-2,3-dienyl)pyrrolidine
CID 134995224
1-(3-Fluoro-2-methylidenebut-3-enyl)pyrrolidine
CID 153363429
3-Buten-1-amine, N,N-diethyl-3-methyl-2-methylene-
CID 559300

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium bromide?
The IUPAC name of 1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium bromide (CID 71421071) is 1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium bromide.
What is the SMILES notation for 1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium bromide?
The canonical SMILES for 1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium bromide is C=C1C[N+](C)(C)CC1=C.[Br-].
What is the InChIKey of 1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium bromide?
The InChIKey is LJBDXRJZYAHQJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14N.BrH/c1-7-5-9(3,4)6-8(7)2;/h1-2,5-6H2,3-4H3;1H/q+1;/p-1.
What are the key properties of 1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium bromide?
1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium bromide has a molecular weight of 204.11 g/mol, XLogP of -1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium bromide is sourced from PubChem (CID 71421071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).