4-(2-bromoethyl)pyrrolidin-3-ol

C6H12BrNO — CID 174676164

IUPAC4-(2-bromoethyl)pyrrolidin-3-ol
SMILESOC1CNCC1CCBr
InChIInChI=1S/C6H12BrNO/c7-2-1-5-3-8-4-6(5)9/h5-6,8-9H,1-4H2
InChIKeyLHLXNYVGKPEDPW-UHFFFAOYSA-N
MW194.07 g/mol
LogP0.35
Rot. Bonds2

About 4-(2-bromoethyl)pyrrolidin-3-ol

4-(2-bromoethyl)pyrrolidin-3-ol (PubChem CID 174676164) has the molecular formula C6H12BrNO and a molecular weight of 194.07 g/mol. Its IUPAC name is 4-(2-bromoethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(2-bromoethyl)pyrrolidin-3-ol
PubChem CID174676164
Molecular FormulaC6H12BrNO
Molecular Weight194.07 g/mol
Exact Mass193.01
IUPAC Name4-(2-bromoethyl)pyrrolidin-3-ol
SMILESOC1CNCC1CCBr
InChIInChI=1S/C6H12BrNO/c7-2-1-5-3-8-4-6(5)9/h5-6,8-9H,1-4H2
InChIKeyLHLXNYVGKPEDPW-UHFFFAOYSA-N
XLogP0.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 50.35
H-Bond Donors ≤ 52
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 4-(2-bromoethyl)pyrrolidin-3-ol?
The IUPAC name of 4-(2-bromoethyl)pyrrolidin-3-ol (CID 174676164) is 4-(2-bromoethyl)pyrrolidin-3-ol.
What is the SMILES notation for 4-(2-bromoethyl)pyrrolidin-3-ol?
The canonical SMILES for 4-(2-bromoethyl)pyrrolidin-3-ol is OC1CNCC1CCBr.
What is the InChIKey of 4-(2-bromoethyl)pyrrolidin-3-ol?
The InChIKey is LHLXNYVGKPEDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO/c7-2-1-5-3-8-4-6(5)9/h5-6,8-9H,1-4H2.
What are the key properties of 4-(2-bromoethyl)pyrrolidin-3-ol?
4-(2-bromoethyl)pyrrolidin-3-ol has a molecular weight of 194.07 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)pyrrolidin-3-ol is sourced from PubChem (CID 174676164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).