3-cyclobutylidenepyrrolidine;hydrochloride

C8H14ClN — CID 121209196

IUPAC3-cyclobutylidenepyrrolidine;hydrochloride
SMILESC1CC(=C2CCNC2)C1.Cl
InChIInChI=1S/C8H13N.ClH/c1-2-7(3-1)8-4-5-9-6-8;/h9H,1-6H2;1H
InChIKeyRRTQPGUXKOTGHR-UHFFFAOYSA-N
MW159.66 g/mol
LogP1.88
Rot. Bonds

About 3-cyclobutylidenepyrrolidine;hydrochloride

3-cyclobutylidenepyrrolidine;hydrochloride (PubChem CID 121209196) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is 3-cyclobutylidenepyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-cyclobutylidenepyrrolidine;hydrochloride
PubChem CID121209196
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name3-cyclobutylidenepyrrolidine;hydrochloride
SMILESC1CC(=C2CCNC2)C1.Cl
InChIInChI=1S/C8H13N.ClH/c1-2-7(3-1)8-4-5-9-6-8;/h9H,1-6H2;1H
InChIKeyRRTQPGUXKOTGHR-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 51.88
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-cyclobutylidenepyrrolidine;hydrochloride?
The IUPAC name of 3-cyclobutylidenepyrrolidine;hydrochloride (CID 121209196) is 3-cyclobutylidenepyrrolidine;hydrochloride.
What is the SMILES notation for 3-cyclobutylidenepyrrolidine;hydrochloride?
The canonical SMILES for 3-cyclobutylidenepyrrolidine;hydrochloride is C1CC(=C2CCNC2)C1.Cl.
What is the InChIKey of 3-cyclobutylidenepyrrolidine;hydrochloride?
The InChIKey is RRTQPGUXKOTGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.ClH/c1-2-7(3-1)8-4-5-9-6-8;/h9H,1-6H2;1H.
What are the key properties of 3-cyclobutylidenepyrrolidine;hydrochloride?
3-cyclobutylidenepyrrolidine;hydrochloride has a molecular weight of 159.66 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutylidenepyrrolidine;hydrochloride is sourced from PubChem (CID 121209196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).