2-(bromomethyl)-1-tert-butylpyrrolidine

C9H18BrN — CID 90457000

IUPAC2-(bromomethyl)-1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCCC1CBr
InChIInChI=1S/C9H18BrN/c1-9(2,3)11-6-4-5-8(11)7-10/h8H,4-7H2,1-3H3
InChIKeyUMKGKFSDWAFFTC-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.64
Rot. Bonds1

About 2-(bromomethyl)-1-tert-butylpyrrolidine

2-(bromomethyl)-1-tert-butylpyrrolidine (PubChem CID 90457000) has the molecular formula C9H18BrN and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-(bromomethyl)-1-tert-butylpyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-tert-butylpyrrolidine
PubChem CID90457000
Molecular FormulaC9H18BrN
Molecular Weight220.15 g/mol
Exact Mass219.06
IUPAC Name2-(bromomethyl)-1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCCC1CBr
InChIInChI=1S/C9H18BrN/c1-9(2,3)11-6-4-5-8(11)7-10/h8H,4-7H2,1-3H3
InChIKeyUMKGKFSDWAFFTC-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.64
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 2-(bromomethyl)-1-tert-butylpyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-tert-butylpyrrolidine (CID 90457000) is 2-(bromomethyl)-1-tert-butylpyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-tert-butylpyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-tert-butylpyrrolidine is CC(C)(C)N1CCCC1CBr.
What is the InChIKey of 2-(bromomethyl)-1-tert-butylpyrrolidine?
The InChIKey is UMKGKFSDWAFFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrN/c1-9(2,3)11-6-4-5-8(11)7-10/h8H,4-7H2,1-3H3.
What are the key properties of 2-(bromomethyl)-1-tert-butylpyrrolidine?
2-(bromomethyl)-1-tert-butylpyrrolidine has a molecular weight of 220.15 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-tert-butylpyrrolidine is sourced from PubChem (CID 90457000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).