1-(chloromethyl)pyrrolidine;hydrochloride

C5H11Cl2N — CID 11446471

IUPAC1-(chloromethyl)pyrrolidine;hydrochloride
SMILESCl.ClCN1CCCC1
InChIInChI=1S/C5H10ClN.ClH/c6-5-7-3-1-2-4-7;/h1-5H2;1H
InChIKeyDIGNCRMNZWGUSP-UHFFFAOYSA-N
MW156.06 g/mol
LogP1.70
Rot. Bonds1

About 1-(chloromethyl)pyrrolidine;hydrochloride

1-(chloromethyl)pyrrolidine;hydrochloride (PubChem CID 11446471) has the molecular formula C5H11Cl2N and a molecular weight of 156.06 g/mol. Its IUPAC name is 1-(chloromethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-(chloromethyl)pyrrolidine;hydrochloride
PubChem CID11446471
Molecular FormulaC5H11Cl2N
Molecular Weight156.06 g/mol
Exact Mass155.03
IUPAC Name1-(chloromethyl)pyrrolidine;hydrochloride
SMILESCl.ClCN1CCCC1
InChIInChI=1S/C5H10ClN.ClH/c6-5-7-3-1-2-4-7;/h1-5H2;1H
InChIKeyDIGNCRMNZWGUSP-UHFFFAOYSA-N
XLogP1.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.06
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)pyrrolidine;hydrochloride?
The IUPAC name of 1-(chloromethyl)pyrrolidine;hydrochloride (CID 11446471) is 1-(chloromethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 1-(chloromethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 1-(chloromethyl)pyrrolidine;hydrochloride is Cl.ClCN1CCCC1.
What is the InChIKey of 1-(chloromethyl)pyrrolidine;hydrochloride?
The InChIKey is DIGNCRMNZWGUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClN.ClH/c6-5-7-3-1-2-4-7;/h1-5H2;1H.
What are the key properties of 1-(chloromethyl)pyrrolidine;hydrochloride?
1-(chloromethyl)pyrrolidine;hydrochloride has a molecular weight of 156.06 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 11446471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).