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

C8H14IN — CID 12607512

IUPAC1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium iodide
SMILESC=C1C[N+](C)(C)CC1=C.[I-]
InChIInChI=1S/C8H14N.HI/c1-7-5-9(3,4)6-8(7)2;/h1-2,5-6H2,3-4H3;1H/q+1;/p-1
InChIKeyVVNMCPDSAZWNFV-UHFFFAOYSA-M
MW251.11 g/mol
LogP-1.81
Rot. Bonds

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

1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium iodide (PubChem CID 12607512) has the molecular formula C8H14IN and a molecular weight of 251.11 g/mol. Its IUPAC name is 1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium iodide.

Molecular Properties

Compound Name1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium iodide
PubChem CID12607512
Molecular FormulaC8H14IN
Molecular Weight251.11 g/mol
Exact Mass251.02
IUPAC Name1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium iodide
SMILESC=C1C[N+](C)(C)CC1=C.[I-]
InChIInChI=1S/C8H14N.HI/c1-7-5-9(3,4)6-8(7)2;/h1-2,5-6H2,3-4H3;1H/q+1;/p-1
InChIKeyVVNMCPDSAZWNFV-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 ≤ 500251.11
LogP ≤ 5-1.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium iodide?
The IUPAC name of 1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium iodide (CID 12607512) is 1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium iodide.
What is the SMILES notation for 1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium iodide?
The canonical SMILES for 1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium iodide is C=C1C[N+](C)(C)CC1=C.[I-].
What is the InChIKey of 1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium iodide?
The InChIKey is VVNMCPDSAZWNFV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14N.HI/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 iodide?
1,1-dimethyl-3,4-dimethylidenepyrrolidin-1-ium iodide has a molecular weight of 251.11 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 iodide is sourced from PubChem (CID 12607512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).