2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine

C11H21ClN2 — CID 127009301

IUPAC2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine
SMILESCN1CCCC1CN1CCCC1CCl
InChIInChI=1S/C11H21ClN2/c1-13-6-2-5-11(13)9-14-7-3-4-10(14)8-12/h10-11H,2-9H2,1H3
InChIKeyUUDBRIIKWOLBLK-UHFFFAOYSA-N
MW216.76 g/mol
LogP1.78
Rot. Bonds3

About 2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine

2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine (PubChem CID 127009301) has the molecular formula C11H21ClN2 and a molecular weight of 216.76 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine
PubChem CID127009301
Molecular FormulaC11H21ClN2
Molecular Weight216.76 g/mol
Exact Mass216.14
IUPAC Name2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine
SMILESCN1CCCC1CN1CCCC1CCl
InChIInChI=1S/C11H21ClN2/c1-13-6-2-5-11(13)9-14-7-3-4-10(14)8-12/h10-11H,2-9H2,1H3
InChIKeyUUDBRIIKWOLBLK-UHFFFAOYSA-N
XLogP1.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.76
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine?
The IUPAC name of 2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine (CID 127009301) is 2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine?
The canonical SMILES for 2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine is CN1CCCC1CN1CCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine?
The InChIKey is UUDBRIIKWOLBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2/c1-13-6-2-5-11(13)9-14-7-3-4-10(14)8-12/h10-11H,2-9H2,1H3.
What are the key properties of 2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine?
2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine has a molecular weight of 216.76 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 127009301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).