cis-(2R,3S)-1-bromo-2,3-dimethylcyclopropane

C5H9Br — CID 97302884

IUPACcis-(2R,3S)-1-bromo-2,3-dimethylcyclopropane
SMILESC[C@@H]1C(Br)[C@@H]1C
InChIInChI=1S/C5H9Br/c1-3-4(2)5(3)6/h3-5H,1-2H3/t3-,4+,5?
InChIKeyZJKDNNBVHLMMHF-NGQZWQHPSA-N
MW149.03 g/mol
LogP2.04
Rot. Bonds

About cis-(2R,3S)-1-bromo-2,3-dimethylcyclopropane

cis-(2R,3S)-1-bromo-2,3-dimethylcyclopropane (PubChem CID 97302884) has the molecular formula C5H9Br and a molecular weight of 149.03 g/mol. Its IUPAC name is cis-(2R,3S)-1-bromo-2,3-dimethylcyclopropane.

Molecular Properties

Compound Namecis-(2R,3S)-1-bromo-2,3-dimethylcyclopropane
PubChem CID97302884
Molecular FormulaC5H9Br
Molecular Weight149.03 g/mol
Exact Mass147.99
IUPAC Namecis-(2R,3S)-1-bromo-2,3-dimethylcyclopropane
SMILESC[C@@H]1C(Br)[C@@H]1C
InChIInChI=1S/C5H9Br/c1-3-4(2)5(3)6/h3-5H,1-2H3/t3-,4+,5?
InChIKeyZJKDNNBVHLMMHF-NGQZWQHPSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.03
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(2R,3S)-1-bromo-2,3-dimethylcyclopropane?
The IUPAC name of cis-(2R,3S)-1-bromo-2,3-dimethylcyclopropane (CID 97302884) is cis-(2R,3S)-1-bromo-2,3-dimethylcyclopropane.
What is the SMILES notation for cis-(2R,3S)-1-bromo-2,3-dimethylcyclopropane?
The canonical SMILES for cis-(2R,3S)-1-bromo-2,3-dimethylcyclopropane is C[C@@H]1C(Br)[C@@H]1C.
What is the InChIKey of cis-(2R,3S)-1-bromo-2,3-dimethylcyclopropane?
The InChIKey is ZJKDNNBVHLMMHF-NGQZWQHPSA-N. The full InChI is InChI=1S/C5H9Br/c1-3-4(2)5(3)6/h3-5H,1-2H3/t3-,4+,5?.
What are the key properties of cis-(2R,3S)-1-bromo-2,3-dimethylcyclopropane?
cis-(2R,3S)-1-bromo-2,3-dimethylcyclopropane has a molecular weight of 149.03 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3S)-1-bromo-2,3-dimethylcyclopropane is sourced from PubChem (CID 97302884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).