1-(dichloromethylidene)pyrrolidin-1-ium chloride

C5H8Cl3N — CID 14987960

IUPAC1-(dichloromethylidene)pyrrolidin-1-ium chloride
SMILESClC(Cl)=[N+]1CCCC1.[Cl-]
InChIInChI=1S/C5H8Cl2N.ClH/c6-5(7)8-3-1-2-4-8;/h1-4H2;1H/q+1;/p-1
InChIKeyRMFGNQHPRDKZBA-UHFFFAOYSA-M
MW188.48 g/mol
LogP-1.37
Rot. Bonds

About 1-(dichloromethylidene)pyrrolidin-1-ium chloride

1-(dichloromethylidene)pyrrolidin-1-ium chloride (PubChem CID 14987960) has the molecular formula C5H8Cl3N and a molecular weight of 188.48 g/mol. Its IUPAC name is 1-(dichloromethylidene)pyrrolidin-1-ium chloride.

Molecular Properties

Compound Name1-(dichloromethylidene)pyrrolidin-1-ium chloride
PubChem CID14987960
Molecular FormulaC5H8Cl3N
Molecular Weight188.48 g/mol
Exact Mass186.97
IUPAC Name1-(dichloromethylidene)pyrrolidin-1-ium chloride
SMILESClC(Cl)=[N+]1CCCC1.[Cl-]
InChIInChI=1S/C5H8Cl2N.ClH/c6-5(7)8-3-1-2-4-8;/h1-4H2;1H/q+1;/p-1
InChIKeyRMFGNQHPRDKZBA-UHFFFAOYSA-M
XLogP-1.37
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.48
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethylidene)pyrrolidin-1-ium chloride?
The IUPAC name of 1-(dichloromethylidene)pyrrolidin-1-ium chloride (CID 14987960) is 1-(dichloromethylidene)pyrrolidin-1-ium chloride.
What is the SMILES notation for 1-(dichloromethylidene)pyrrolidin-1-ium chloride?
The canonical SMILES for 1-(dichloromethylidene)pyrrolidin-1-ium chloride is ClC(Cl)=[N+]1CCCC1.[Cl-].
What is the InChIKey of 1-(dichloromethylidene)pyrrolidin-1-ium chloride?
The InChIKey is RMFGNQHPRDKZBA-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8Cl2N.ClH/c6-5(7)8-3-1-2-4-8;/h1-4H2;1H/q+1;/p-1.
What are the key properties of 1-(dichloromethylidene)pyrrolidin-1-ium chloride?
1-(dichloromethylidene)pyrrolidin-1-ium chloride has a molecular weight of 188.48 g/mol, XLogP of -1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethylidene)pyrrolidin-1-ium chloride is sourced from PubChem (CID 14987960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).