1-(chloromethyl)pyrrolidine

C5H10ClN — CID 11446472

IUPAC1-(chloromethyl)pyrrolidine
SMILESClCN1CCCC1
InChIInChI=1S/C5H10ClN/c6-5-7-3-1-2-4-7/h1-5H2
InChIKeyGDQHCHFPBSSLQY-UHFFFAOYSA-N
MW119.60 g/mol
LogP1.28
Rot. Bonds1

About 1-(chloromethyl)pyrrolidine

1-(chloromethyl)pyrrolidine (PubChem CID 11446472) has the molecular formula C5H10ClN and a molecular weight of 119.60 g/mol. Its IUPAC name is 1-(chloromethyl)pyrrolidine.

Molecular Properties

Compound Name1-(chloromethyl)pyrrolidine
PubChem CID11446472
Molecular FormulaC5H10ClN
Molecular Weight119.60 g/mol
Exact Mass119.05
IUPAC Name1-(chloromethyl)pyrrolidine
SMILESClCN1CCCC1
InChIInChI=1S/C5H10ClN/c6-5-7-3-1-2-4-7/h1-5H2
InChIKeyGDQHCHFPBSSLQY-UHFFFAOYSA-N
XLogP1.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.60
LogP ≤ 51.28
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?
The IUPAC name of 1-(chloromethyl)pyrrolidine (CID 11446472) is 1-(chloromethyl)pyrrolidine.
What is the SMILES notation for 1-(chloromethyl)pyrrolidine?
The canonical SMILES for 1-(chloromethyl)pyrrolidine is ClCN1CCCC1.
What is the InChIKey of 1-(chloromethyl)pyrrolidine?
The InChIKey is GDQHCHFPBSSLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClN/c6-5-7-3-1-2-4-7/h1-5H2.
What are the key properties of 1-(chloromethyl)pyrrolidine?
1-(chloromethyl)pyrrolidine has a molecular weight of 119.60 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)pyrrolidine is sourced from PubChem (CID 11446472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).