1,1-dimethyl-3-methylidenepyrrolidin-1-ium bromide

C7H14BrN — CID 10583890

IUPAC1,1-dimethyl-3-methylidenepyrrolidin-1-ium bromide
SMILESC=C1CC[N+](C)(C)C1.[Br-]
InChIInChI=1S/C7H14N.BrH/c1-7-4-5-8(2,3)6-7;/h1,4-6H2,2-3H3;1H/q+1;/p-1
InChIKeyOZQQRNOWILFVAZ-UHFFFAOYSA-M
MW192.10 g/mol
LogP-1.97
Rot. Bonds

About 1,1-dimethyl-3-methylidenepyrrolidin-1-ium bromide

1,1-dimethyl-3-methylidenepyrrolidin-1-ium bromide (PubChem CID 10583890) has the molecular formula C7H14BrN and a molecular weight of 192.10 g/mol. Its IUPAC name is 1,1-dimethyl-3-methylidenepyrrolidin-1-ium bromide.

Molecular Properties

Compound Name1,1-dimethyl-3-methylidenepyrrolidin-1-ium bromide
PubChem CID10583890
Molecular FormulaC7H14BrN
Molecular Weight192.10 g/mol
Exact Mass191.03
IUPAC Name1,1-dimethyl-3-methylidenepyrrolidin-1-ium bromide
SMILESC=C1CC[N+](C)(C)C1.[Br-]
InChIInChI=1S/C7H14N.BrH/c1-7-4-5-8(2,3)6-7;/h1,4-6H2,2-3H3;1H/q+1;/p-1
InChIKeyOZQQRNOWILFVAZ-UHFFFAOYSA-M
XLogP-1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 5-1.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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
1,1-Dimethyl-3,4-dimethylidenepyrrolidin-1-ium bromide
CID 71421071
(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine
CID 169182017
(3E)-3-(fluoromethylidene)-1-methylpyrrolidine
CID 172577303
Pyrrolidine, N-(3-methyl-3-butenyl)-
CID 558410
3-Methyl-1-pyrrolidin-1-ylbut-3-ene-1-selone
CID 85701734
1-(2-Methylbuta-2,3-dienyl)pyrrolidine
CID 134995224
1-Methyl-3-methylidenepyrrolidine
CID 10772936
3,4-Dimethylidene-1-propan-2-ylpyrrolidine
CID 12607506
1-(2-Methylprop-2-en-1-yl)pyrrolidine
CID 15180076

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-methylidenepyrrolidin-1-ium bromide?
The IUPAC name of 1,1-dimethyl-3-methylidenepyrrolidin-1-ium bromide (CID 10583890) is 1,1-dimethyl-3-methylidenepyrrolidin-1-ium bromide.
What is the SMILES notation for 1,1-dimethyl-3-methylidenepyrrolidin-1-ium bromide?
The canonical SMILES for 1,1-dimethyl-3-methylidenepyrrolidin-1-ium bromide is C=C1CC[N+](C)(C)C1.[Br-].
What is the InChIKey of 1,1-dimethyl-3-methylidenepyrrolidin-1-ium bromide?
The InChIKey is OZQQRNOWILFVAZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14N.BrH/c1-7-4-5-8(2,3)6-7;/h1,4-6H2,2-3H3;1H/q+1;/p-1.
What are the key properties of 1,1-dimethyl-3-methylidenepyrrolidin-1-ium bromide?
1,1-dimethyl-3-methylidenepyrrolidin-1-ium bromide has a molecular weight of 192.10 g/mol, XLogP of -1.97, 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-methylidenepyrrolidin-1-ium bromide is sourced from PubChem (CID 10583890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).