2-(3-chloropropyl)-5-methylpyrrolidine

C8H16ClN — CID 174366424

IUPAC2-(3-chloropropyl)-5-methylpyrrolidine
SMILESCC1CCC(CCCCl)N1
InChIInChI=1S/C8H16ClN/c1-7-4-5-8(10-7)3-2-6-9/h7-8,10H,2-6H2,1H3
InChIKeyGNOQRTKRRDHWCD-UHFFFAOYSA-N
MW161.68 g/mol
LogP2.15
Rot. Bonds3

About 2-(3-chloropropyl)-5-methylpyrrolidine

2-(3-chloropropyl)-5-methylpyrrolidine (PubChem CID 174366424) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-methylpyrrolidine.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-methylpyrrolidine
PubChem CID174366424
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name2-(3-chloropropyl)-5-methylpyrrolidine
SMILESCC1CCC(CCCCl)N1
InChIInChI=1S/C8H16ClN/c1-7-4-5-8(10-7)3-2-6-9/h7-8,10H,2-6H2,1H3
InChIKeyGNOQRTKRRDHWCD-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.15
H-Bond Donors ≤ 51
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 2-(3-chloropropyl)-5-methylpyrrolidine?
The IUPAC name of 2-(3-chloropropyl)-5-methylpyrrolidine (CID 174366424) is 2-(3-chloropropyl)-5-methylpyrrolidine.
What is the SMILES notation for 2-(3-chloropropyl)-5-methylpyrrolidine?
The canonical SMILES for 2-(3-chloropropyl)-5-methylpyrrolidine is CC1CCC(CCCCl)N1.
What is the InChIKey of 2-(3-chloropropyl)-5-methylpyrrolidine?
The InChIKey is GNOQRTKRRDHWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c1-7-4-5-8(10-7)3-2-6-9/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-(3-chloropropyl)-5-methylpyrrolidine?
2-(3-chloropropyl)-5-methylpyrrolidine has a molecular weight of 161.68 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-methylpyrrolidine is sourced from PubChem (CID 174366424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).