1-bromo-1-methoxycyclopropane

C4H7BrO — CID 84763227

IUPAC1-bromo-1-methoxycyclopropane
SMILESCOC1(Br)CC1
InChIInChI=1S/C4H7BrO/c1-6-4(5)2-3-4/h2-3H2,1H3
InChIKeyZLFOSYLONOHFCI-UHFFFAOYSA-N
MW151.00 g/mol
LogP1.52
Rot. Bonds1

About 1-bromo-1-methoxycyclopropane

1-bromo-1-methoxycyclopropane (PubChem CID 84763227) has the molecular formula C4H7BrO and a molecular weight of 151.00 g/mol. Its IUPAC name is 1-bromo-1-methoxycyclopropane.

Molecular Properties

Compound Name1-bromo-1-methoxycyclopropane
PubChem CID84763227
Molecular FormulaC4H7BrO
Molecular Weight151.00 g/mol
Exact Mass149.97
IUPAC Name1-bromo-1-methoxycyclopropane
SMILESCOC1(Br)CC1
InChIInChI=1S/C4H7BrO/c1-6-4(5)2-3-4/h2-3H2,1H3
InChIKeyZLFOSYLONOHFCI-UHFFFAOYSA-N
XLogP1.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.00
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-1-methoxycyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-methoxycyclopropane?
The IUPAC name of 1-bromo-1-methoxycyclopropane (CID 84763227) is 1-bromo-1-methoxycyclopropane.
What is the SMILES notation for 1-bromo-1-methoxycyclopropane?
The canonical SMILES for 1-bromo-1-methoxycyclopropane is COC1(Br)CC1.
What is the InChIKey of 1-bromo-1-methoxycyclopropane?
The InChIKey is ZLFOSYLONOHFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrO/c1-6-4(5)2-3-4/h2-3H2,1H3.
What are the key properties of 1-bromo-1-methoxycyclopropane?
1-bromo-1-methoxycyclopropane has a molecular weight of 151.00 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-methoxycyclopropane is sourced from PubChem (CID 84763227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).