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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Related Compounds

(1S,2R,3R,4R,5S)-1,2-dibromo-3,4,5-trimethylcyclohexane
CID 98513794
(1S,2R,3S)-2-bromo-3-methylcyclopropane-1-carbaldehyde
CID 101345044
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
2,4,6,8,9,10-hexamethyladamantane
CID 58325503
carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium)
CID 162297700
(2R,3S,5R,6R)-2,3,5,6-tetramethylbicyclo[2.2.0]hexane
CID 123730639
carbanide;iridium tetrahydride;1,2,3,4,5-pentamethylcyclopentane
CID 162298825
carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+)
CID 23231302
(7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane
CID 58241652
2-bromo-1,1-difluoro-3-methylcyclopropane
CID 178201013
1-bromo-3-methylcyclobutane
CID 14372773
(1R,2R,3S,4R,5S)-4,5-dibromo-3-methylcyclohexane-1,2-dicarboxylic acid
CID 98064208

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).