methyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate

C11H12BrNO2 — CID 170008442

IUPACmethyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cc(Br)ccc2N)CC1
InChIInChI=1S/C11H12BrNO2/c1-15-10(14)11(4-5-11)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5,13H2,1H3
InChIKeyLKERIDMRMFGYSH-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.24
Rot. Bonds2

About methyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate

methyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate (PubChem CID 170008442) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is methyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate
PubChem CID170008442
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Namemethyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cc(Br)ccc2N)CC1
InChIInChI=1S/C11H12BrNO2/c1-15-10(14)11(4-5-11)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5,13H2,1H3
InChIKeyLKERIDMRMFGYSH-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate (CID 170008442) is methyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate is COC(=O)C1(c2cc(Br)ccc2N)CC1.
What is the InChIKey of methyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate?
The InChIKey is LKERIDMRMFGYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-15-10(14)11(4-5-11)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5,13H2,1H3.
What are the key properties of methyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate?
methyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate has a molecular weight of 270.13 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 170008442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).