1-(3-chloropropyl)-2,5-dimethylpyrrolidine

C9H18ClN — CID 23091685

IUPAC1-(3-chloropropyl)-2,5-dimethylpyrrolidine
SMILESCC1CCC(C)N1CCCCl
InChIInChI=1S/C9H18ClN/c1-8-4-5-9(2)11(8)7-3-6-10/h8-9H,3-7H2,1-2H3
InChIKeyUGRJIHHEPMVYEN-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.49
Rot. Bonds3

About 1-(3-chloropropyl)-2,5-dimethylpyrrolidine

1-(3-chloropropyl)-2,5-dimethylpyrrolidine (PubChem CID 23091685) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is 1-(3-chloropropyl)-2,5-dimethylpyrrolidine.

Molecular Properties

Compound Name1-(3-chloropropyl)-2,5-dimethylpyrrolidine
PubChem CID23091685
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name1-(3-chloropropyl)-2,5-dimethylpyrrolidine
SMILESCC1CCC(C)N1CCCCl
InChIInChI=1S/C9H18ClN/c1-8-4-5-9(2)11(8)7-3-6-10/h8-9H,3-7H2,1-2H3
InChIKeyUGRJIHHEPMVYEN-UHFFFAOYSA-N
XLogP2.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-2,5-dimethylpyrrolidine?
The IUPAC name of 1-(3-chloropropyl)-2,5-dimethylpyrrolidine (CID 23091685) is 1-(3-chloropropyl)-2,5-dimethylpyrrolidine.
What is the SMILES notation for 1-(3-chloropropyl)-2,5-dimethylpyrrolidine?
The canonical SMILES for 1-(3-chloropropyl)-2,5-dimethylpyrrolidine is CC1CCC(C)N1CCCCl.
What is the InChIKey of 1-(3-chloropropyl)-2,5-dimethylpyrrolidine?
The InChIKey is UGRJIHHEPMVYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN/c1-8-4-5-9(2)11(8)7-3-6-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(3-chloropropyl)-2,5-dimethylpyrrolidine?
1-(3-chloropropyl)-2,5-dimethylpyrrolidine has a molecular weight of 175.70 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-2,5-dimethylpyrrolidine is sourced from PubChem (CID 23091685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).