2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine

C11H20BrN — CID 102785677

IUPAC2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine
SMILESCC1CCN(CCC2CC2)C1CBr
InChIInChI=1S/C11H20BrN/c1-9-4-6-13(11(9)8-12)7-5-10-2-3-10/h9-11H,2-8H2,1H3
InChIKeyBWPDXMSGKSHMKY-UHFFFAOYSA-N
MW246.19 g/mol
LogP2.89
Rot. Bonds4

About 2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine

2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine (PubChem CID 102785677) has the molecular formula C11H20BrN and a molecular weight of 246.19 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine
PubChem CID102785677
Molecular FormulaC11H20BrN
Molecular Weight246.19 g/mol
Exact Mass245.08
IUPAC Name2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine
SMILESCC1CCN(CCC2CC2)C1CBr
InChIInChI=1S/C11H20BrN/c1-9-4-6-13(11(9)8-12)7-5-10-2-3-10/h9-11H,2-8H2,1H3
InChIKeyBWPDXMSGKSHMKY-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine
CID 102785685
2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine
CID 102785354
2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
CID 106457903
2-(bromomethyl)-1,3-dimethylpyrrolidine
CID 102785593
2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine
CID 102785673
2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine
CID 102785264
2-(bromomethyl)-3-methyl-1-(4-phenylbutyl)pyrrolidine
CID 102785255
2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine
CID 102785459
2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine
CID 102785404
2-(bromomethyl)-1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine
CID 102785540
1-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102787949
[3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol
CID 102789795

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine (CID 102785677) is 2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine is CC1CCN(CCC2CC2)C1CBr.
What is the InChIKey of 2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine?
The InChIKey is BWPDXMSGKSHMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN/c1-9-4-6-13(11(9)8-12)7-5-10-2-3-10/h9-11H,2-8H2,1H3.
What are the key properties of 2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine?
2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine has a molecular weight of 246.19 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine is sourced from PubChem (CID 102785677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).