1-bromo-1-(prop-2-enoxymethyl)cyclopropane

C7H11BrO — CID 155943507

IUPAC1-bromo-1-(prop-2-enoxymethyl)cyclopropane
SMILESC=CCOCC1(Br)CC1
InChIInChI=1S/C7H11BrO/c1-2-5-9-6-7(8)3-4-7/h2H,1,3-6H2
InChIKeyJJFYIFMYZYEVHL-UHFFFAOYSA-N
MW191.07 g/mol
LogP2.12
Rot. Bonds4

About 1-bromo-1-(prop-2-enoxymethyl)cyclopropane

1-bromo-1-(prop-2-enoxymethyl)cyclopropane (PubChem CID 155943507) has the molecular formula C7H11BrO and a molecular weight of 191.07 g/mol. Its IUPAC name is 1-bromo-1-(prop-2-enoxymethyl)cyclopropane.

Molecular Properties

Compound Name1-bromo-1-(prop-2-enoxymethyl)cyclopropane
PubChem CID155943507
Molecular FormulaC7H11BrO
Molecular Weight191.07 g/mol
Exact Mass190.00
IUPAC Name1-bromo-1-(prop-2-enoxymethyl)cyclopropane
SMILESC=CCOCC1(Br)CC1
InChIInChI=1S/C7H11BrO/c1-2-5-9-6-7(8)3-4-7/h2H,1,3-6H2
InChIKeyJJFYIFMYZYEVHL-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane
CID 65004533
2-(prop-2-enoxymethyl)oxiran-2-ol
CID 141346894
Potassium allyloxide
CID 87828396
4-ethyl-2,2-dimethyl-4-(prop-2-enoxymethyl)-1,3-dioxane
CID 22011168
2-methyl-1,1-bis(prop-2-enoxymethyl)cyclohexane
CID 139896276
1-[1-(prop-2-enoxymethyl)cyclopentyl]prop-2-yn-1-ol
CID 52937089
azane;3-prop-2-enoxyprop-1-ene;hydrochloride
CID 173111955
2,5-dihydrofuran;3-prop-2-enoxyprop-1-ene
CID 157214114
1-[2-(prop-2-enoxymethyl)oxiran-2-yl]butan-1-one
CID 141095503
isocyanic acid;3-prop-2-enoxyprop-1-ene
CID 88728289
ethenamine;3-prop-2-enoxyprop-1-ene
CID 174942640
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(prop-2-enoxymethyl)cyclopropane?
The IUPAC name of 1-bromo-1-(prop-2-enoxymethyl)cyclopropane (CID 155943507) is 1-bromo-1-(prop-2-enoxymethyl)cyclopropane.
What is the SMILES notation for 1-bromo-1-(prop-2-enoxymethyl)cyclopropane?
The canonical SMILES for 1-bromo-1-(prop-2-enoxymethyl)cyclopropane is C=CCOCC1(Br)CC1.
What is the InChIKey of 1-bromo-1-(prop-2-enoxymethyl)cyclopropane?
The InChIKey is JJFYIFMYZYEVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrO/c1-2-5-9-6-7(8)3-4-7/h2H,1,3-6H2.
What are the key properties of 1-bromo-1-(prop-2-enoxymethyl)cyclopropane?
1-bromo-1-(prop-2-enoxymethyl)cyclopropane has a molecular weight of 191.07 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(prop-2-enoxymethyl)cyclopropane is sourced from PubChem (CID 155943507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).