2-bromo-2-(2,2-dimethylpropanoyl)-1-methylcyclopropane-1-carbaldehyde

C10H15BrO2 — CID 134922979

IUPAC2-bromo-2-(2,2-dimethylpropanoyl)-1-methylcyclopropane-1-carbaldehyde
SMILESCC(C)(C)C(=O)C1(Br)CC1(C)C=O
InChIInChI=1S/C10H15BrO2/c1-8(2,3)7(13)10(11)5-9(10,4)6-12/h6H,5H2,1-4H3
InChIKeyKWRQGHXNLFGSDP-UHFFFAOYSA-N
MW247.13 g/mol
LogP2.34
Rot. Bonds2

About 2-bromo-2-(2,2-dimethylpropanoyl)-1-methylcyclopropane-1-carbaldehyde

2-bromo-2-(2,2-dimethylpropanoyl)-1-methylcyclopropane-1-carbaldehyde (PubChem CID 134922979) has the molecular formula C10H15BrO2 and a molecular weight of 247.13 g/mol. Its IUPAC name is 2-bromo-2-(2,2-dimethylpropanoyl)-1-methylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-bromo-2-(2,2-dimethylpropanoyl)-1-methylcyclopropane-1-carbaldehyde
PubChem CID134922979
Molecular FormulaC10H15BrO2
Molecular Weight247.13 g/mol
Exact Mass246.03
IUPAC Name2-bromo-2-(2,2-dimethylpropanoyl)-1-methylcyclopropane-1-carbaldehyde
SMILESCC(C)(C)C(=O)C1(Br)CC1(C)C=O
InChIInChI=1S/C10H15BrO2/c1-8(2,3)7(13)10(11)5-9(10,4)6-12/h6H,5H2,1-4H3
InChIKeyKWRQGHXNLFGSDP-UHFFFAOYSA-N
XLogP2.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-2-(2,2-dimethylpropanoyl)-1-methylcyclopropane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,2-dimethylpropanoyl)-1-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-one
CID 129041054
1-(1-hydroxycyclobutyl)-2,2-dimethylpropan-1-one
CID 118667718
1-(1-aminocyclobutyl)-2,2-dimethylpropan-1-one
CID 116598505
1-[3-(2,2-dimethylpropanoyl)-1-bicyclo[1.1.1]pentanyl]-2,2-dimethylbutan-1-one
CID 138498592
2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116570035
1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid
CID 170443189
2-bromo-1-(1-bromocyclopentyl)-2-methylpropan-1-one
CID 14141334
(3R)-5-fluoro-2-methylspiro[2.2]pentane-2-carbaldehyde
CID 163876171
2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one
CID 116921693
1-[1-(tert-butylamino)-4,4-dimethylcyclohexyl]-2,2-dimethylpropan-1-one
CID 58256973
1-(2,2-dimethylpropanoyl)cyclohexane-1-carboxylic acid
CID 58728065
1-[7-[(1E)-buta-1,3-dienyl]-6-methyl-1-azabicyclo[4.1.0]heptan-7-yl]-2,2-dimethylpropan-1-one
CID 101095382

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(2,2-dimethylpropanoyl)-1-methylcyclopropane-1-carbaldehyde?
The IUPAC name of 2-bromo-2-(2,2-dimethylpropanoyl)-1-methylcyclopropane-1-carbaldehyde (CID 134922979) is 2-bromo-2-(2,2-dimethylpropanoyl)-1-methylcyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-bromo-2-(2,2-dimethylpropanoyl)-1-methylcyclopropane-1-carbaldehyde?
The canonical SMILES for 2-bromo-2-(2,2-dimethylpropanoyl)-1-methylcyclopropane-1-carbaldehyde is CC(C)(C)C(=O)C1(Br)CC1(C)C=O.
What is the InChIKey of 2-bromo-2-(2,2-dimethylpropanoyl)-1-methylcyclopropane-1-carbaldehyde?
The InChIKey is KWRQGHXNLFGSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO2/c1-8(2,3)7(13)10(11)5-9(10,4)6-12/h6H,5H2,1-4H3.
What are the key properties of 2-bromo-2-(2,2-dimethylpropanoyl)-1-methylcyclopropane-1-carbaldehyde?
2-bromo-2-(2,2-dimethylpropanoyl)-1-methylcyclopropane-1-carbaldehyde has a molecular weight of 247.13 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(2,2-dimethylpropanoyl)-1-methylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 134922979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).