(4-bromo-1-cyclopropylbut-1-enyl)cyclopropane

C10H15Br — CID 18316351

IUPAC(4-bromo-1-cyclopropylbut-1-enyl)cyclopropane
SMILESBrCCC=C(C1CC1)C1CC1
InChIInChI=1S/C10H15Br/c11-7-1-2-10(8-3-4-8)9-5-6-9/h2,8-9H,1,3-7H2
InChIKeyYJNLRVIEHKBENP-UHFFFAOYSA-N
MW215.13 g/mol
LogP3.52
Rot. Bonds4

About (4-bromo-1-cyclopropylbut-1-enyl)cyclopropane

(4-bromo-1-cyclopropylbut-1-enyl)cyclopropane (PubChem CID 18316351) has the molecular formula C10H15Br and a molecular weight of 215.13 g/mol. Its IUPAC name is (4-bromo-1-cyclopropylbut-1-enyl)cyclopropane.

Molecular Properties

Compound Name(4-bromo-1-cyclopropylbut-1-enyl)cyclopropane
PubChem CID18316351
Molecular FormulaC10H15Br
Molecular Weight215.13 g/mol
Exact Mass214.04
IUPAC Name(4-bromo-1-cyclopropylbut-1-enyl)cyclopropane
SMILESBrCCC=C(C1CC1)C1CC1
InChIInChI=1S/C10H15Br/c11-7-1-2-10(8-3-4-8)9-5-6-9/h2,8-9H,1,3-7H2
InChIKeyYJNLRVIEHKBENP-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 53.52
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 (4-bromo-1-cyclopropylbut-1-enyl)cyclopropane?
The IUPAC name of (4-bromo-1-cyclopropylbut-1-enyl)cyclopropane (CID 18316351) is (4-bromo-1-cyclopropylbut-1-enyl)cyclopropane.
What is the SMILES notation for (4-bromo-1-cyclopropylbut-1-enyl)cyclopropane?
The canonical SMILES for (4-bromo-1-cyclopropylbut-1-enyl)cyclopropane is BrCCC=C(C1CC1)C1CC1.
What is the InChIKey of (4-bromo-1-cyclopropylbut-1-enyl)cyclopropane?
The InChIKey is YJNLRVIEHKBENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br/c11-7-1-2-10(8-3-4-8)9-5-6-9/h2,8-9H,1,3-7H2.
What are the key properties of (4-bromo-1-cyclopropylbut-1-enyl)cyclopropane?
(4-bromo-1-cyclopropylbut-1-enyl)cyclopropane has a molecular weight of 215.13 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-cyclopropylbut-1-enyl)cyclopropane is sourced from PubChem (CID 18316351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).