(1-bromo-2-methylbut-3-en-2-yl)cyclopropane

C8H13Br — CID 102642315

IUPAC(1-bromo-2-methylbut-3-en-2-yl)cyclopropane
SMILESC=CC(C)(CBr)C1CC1
InChIInChI=1S/C8H13Br/c1-3-8(2,6-9)7-4-5-7/h3,7H,1,4-6H2,2H3
InChIKeyYLRBTASZTPOJOU-UHFFFAOYSA-N
MW189.10 g/mol
LogP2.98
Rot. Bonds3

About (1-bromo-2-methylbut-3-en-2-yl)cyclopropane

(1-bromo-2-methylbut-3-en-2-yl)cyclopropane (PubChem CID 102642315) has the molecular formula C8H13Br and a molecular weight of 189.10 g/mol. Its IUPAC name is (1-bromo-2-methylbut-3-en-2-yl)cyclopropane.

Molecular Properties

Compound Name(1-bromo-2-methylbut-3-en-2-yl)cyclopropane
PubChem CID102642315
Molecular FormulaC8H13Br
Molecular Weight189.10 g/mol
Exact Mass188.02
IUPAC Name(1-bromo-2-methylbut-3-en-2-yl)cyclopropane
SMILESC=CC(C)(CBr)C1CC1
InChIInChI=1S/C8H13Br/c1-3-8(2,6-9)7-4-5-7/h3,7H,1,4-6H2,2H3
InChIKeyYLRBTASZTPOJOU-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-bromo-2-methylbut-3-en-2-yl)cyclopropane?
The IUPAC name of (1-bromo-2-methylbut-3-en-2-yl)cyclopropane (CID 102642315) is (1-bromo-2-methylbut-3-en-2-yl)cyclopropane.
What is the SMILES notation for (1-bromo-2-methylbut-3-en-2-yl)cyclopropane?
The canonical SMILES for (1-bromo-2-methylbut-3-en-2-yl)cyclopropane is C=CC(C)(CBr)C1CC1.
What is the InChIKey of (1-bromo-2-methylbut-3-en-2-yl)cyclopropane?
The InChIKey is YLRBTASZTPOJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Br/c1-3-8(2,6-9)7-4-5-7/h3,7H,1,4-6H2,2H3.
What are the key properties of (1-bromo-2-methylbut-3-en-2-yl)cyclopropane?
(1-bromo-2-methylbut-3-en-2-yl)cyclopropane has a molecular weight of 189.10 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-2-methylbut-3-en-2-yl)cyclopropane is sourced from PubChem (CID 102642315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).