1-(3-bromo-2,2-dimethylpropyl)-3-methoxypyrrolidine

C10H20BrNO — CID 103537330

IUPAC1-(3-bromo-2,2-dimethylpropyl)-3-methoxypyrrolidine
SMILESCOC1CCN(CC(C)(C)CBr)C1
InChIInChI=1S/C10H20BrNO/c1-10(2,7-11)8-12-5-4-9(6-12)13-3/h9H,4-8H2,1-3H3
InChIKeyQDOVSHOLLYMNQB-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.13
Rot. Bonds4

About 1-(3-bromo-2,2-dimethylpropyl)-3-methoxypyrrolidine

1-(3-bromo-2,2-dimethylpropyl)-3-methoxypyrrolidine (PubChem CID 103537330) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 1-(3-bromo-2,2-dimethylpropyl)-3-methoxypyrrolidine.

Molecular Properties

Compound Name1-(3-bromo-2,2-dimethylpropyl)-3-methoxypyrrolidine
PubChem CID103537330
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name1-(3-bromo-2,2-dimethylpropyl)-3-methoxypyrrolidine
SMILESCOC1CCN(CC(C)(C)CBr)C1
InChIInChI=1S/C10H20BrNO/c1-10(2,7-11)8-12-5-4-9(6-12)13-3/h9H,4-8H2,1-3H3
InChIKeyQDOVSHOLLYMNQB-UHFFFAOYSA-N
XLogP2.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.13
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 1-(3-bromo-2,2-dimethylpropyl)-3-methoxypyrrolidine?
The IUPAC name of 1-(3-bromo-2,2-dimethylpropyl)-3-methoxypyrrolidine (CID 103537330) is 1-(3-bromo-2,2-dimethylpropyl)-3-methoxypyrrolidine.
What is the SMILES notation for 1-(3-bromo-2,2-dimethylpropyl)-3-methoxypyrrolidine?
The canonical SMILES for 1-(3-bromo-2,2-dimethylpropyl)-3-methoxypyrrolidine is COC1CCN(CC(C)(C)CBr)C1.
What is the InChIKey of 1-(3-bromo-2,2-dimethylpropyl)-3-methoxypyrrolidine?
The InChIKey is QDOVSHOLLYMNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-10(2,7-11)8-12-5-4-9(6-12)13-3/h9H,4-8H2,1-3H3.
What are the key properties of 1-(3-bromo-2,2-dimethylpropyl)-3-methoxypyrrolidine?
1-(3-bromo-2,2-dimethylpropyl)-3-methoxypyrrolidine has a molecular weight of 250.18 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,2-dimethylpropyl)-3-methoxypyrrolidine is sourced from PubChem (CID 103537330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).