cis-(1S,2S)-2-(2-bromoethyl)cyclopropane-1-carbaldehyde

C6H9BrO — CID 15528365

IUPACcis-(1S,2S)-2-(2-bromoethyl)cyclopropane-1-carbaldehyde
SMILESO=C[C@H]1C[C@H]1CCBr
InChIInChI=1S/C6H9BrO/c7-2-1-5-3-6(5)4-8/h4-6H,1-3H2/t5-,6-/m1/s1
InChIKeyGLLZNRJKKFHEMR-PHDIDXHHSA-N
MW177.04 g/mol
LogP1.61
Rot. Bonds3

About cis-(1S,2S)-2-(2-bromoethyl)cyclopropane-1-carbaldehyde

cis-(1S,2S)-2-(2-bromoethyl)cyclopropane-1-carbaldehyde (PubChem CID 15528365) has the molecular formula C6H9BrO and a molecular weight of 177.04 g/mol. Its IUPAC name is cis-(1S,2S)-2-(2-bromoethyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2S)-2-(2-bromoethyl)cyclopropane-1-carbaldehyde
PubChem CID15528365
Molecular FormulaC6H9BrO
Molecular Weight177.04 g/mol
Exact Mass175.98
IUPAC Namecis-(1S,2S)-2-(2-bromoethyl)cyclopropane-1-carbaldehyde
SMILESO=C[C@H]1C[C@H]1CCBr
InChIInChI=1S/C6H9BrO/c7-2-1-5-3-6(5)4-8/h4-6H,1-3H2/t5-,6-/m1/s1
InChIKeyGLLZNRJKKFHEMR-PHDIDXHHSA-N
XLogP1.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.04
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-(2-bromoethyl)cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1S,2S)-2-(2-bromoethyl)cyclopropane-1-carbaldehyde (CID 15528365) is cis-(1S,2S)-2-(2-bromoethyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2S)-2-(2-bromoethyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2S)-2-(2-bromoethyl)cyclopropane-1-carbaldehyde is O=C[C@H]1C[C@H]1CCBr.
What is the InChIKey of cis-(1S,2S)-2-(2-bromoethyl)cyclopropane-1-carbaldehyde?
The InChIKey is GLLZNRJKKFHEMR-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H9BrO/c7-2-1-5-3-6(5)4-8/h4-6H,1-3H2/t5-,6-/m1/s1.
What are the key properties of cis-(1S,2S)-2-(2-bromoethyl)cyclopropane-1-carbaldehyde?
cis-(1S,2S)-2-(2-bromoethyl)cyclopropane-1-carbaldehyde has a molecular weight of 177.04 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-(2-bromoethyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 15528365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).