3-methylidenepyrrolidine;hydrochloride

C5H10ClN — CID 45158922

IUPAC3-methylidenepyrrolidine;hydrochloride
SMILESC=C1CCNC1.Cl
InChIInChI=1S/C5H9N.ClH/c1-5-2-3-6-4-5;/h6H,1-4H2;1H
InChIKeyUDNZEDVMZUGTPP-UHFFFAOYSA-N
MW119.60 g/mol
LogP0.96
Rot. Bonds

About 3-methylidenepyrrolidine;hydrochloride

3-methylidenepyrrolidine;hydrochloride (PubChem CID 45158922) has the molecular formula C5H10ClN and a molecular weight of 119.60 g/mol. Its IUPAC name is 3-methylidenepyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-methylidenepyrrolidine;hydrochloride
PubChem CID45158922
Molecular FormulaC5H10ClN
Molecular Weight119.60 g/mol
Exact Mass119.05
IUPAC Name3-methylidenepyrrolidine;hydrochloride
SMILESC=C1CCNC1.Cl
InChIInChI=1S/C5H9N.ClH/c1-5-2-3-6-4-5;/h6H,1-4H2;1H
InChIKeyUDNZEDVMZUGTPP-UHFFFAOYSA-N
XLogP0.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.60
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidenepyrrolidine;hydrochloride?
The IUPAC name of 3-methylidenepyrrolidine;hydrochloride (CID 45158922) is 3-methylidenepyrrolidine;hydrochloride.
What is the SMILES notation for 3-methylidenepyrrolidine;hydrochloride?
The canonical SMILES for 3-methylidenepyrrolidine;hydrochloride is C=C1CCNC1.Cl.
What is the InChIKey of 3-methylidenepyrrolidine;hydrochloride?
The InChIKey is UDNZEDVMZUGTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.ClH/c1-5-2-3-6-4-5;/h6H,1-4H2;1H.
What are the key properties of 3-methylidenepyrrolidine;hydrochloride?
3-methylidenepyrrolidine;hydrochloride has a molecular weight of 119.60 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenepyrrolidine;hydrochloride is sourced from PubChem (CID 45158922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).