[(2-bromo-1-phenylethylidene)amino] acetate

C10H10BrNO2 — CID 86233217

IUPAC[(2-bromo-1-phenylethylidene)amino] acetate
SMILESCC(=O)ON=C(CBr)c1ccccc1
InChIInChI=1S/C10H10BrNO2/c1-8(13)14-12-10(7-11)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyOSFASWQZXWCQMW-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.35
Rot. Bonds3

About [(2-bromo-1-phenylethylidene)amino] acetate

[(2-bromo-1-phenylethylidene)amino] acetate (PubChem CID 86233217) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is [(2-bromo-1-phenylethylidene)amino] acetate.

Molecular Properties

Compound Name[(2-bromo-1-phenylethylidene)amino] acetate
PubChem CID86233217
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name[(2-bromo-1-phenylethylidene)amino] acetate
SMILESCC(=O)ON=C(CBr)c1ccccc1
InChIInChI=1S/C10H10BrNO2/c1-8(13)14-12-10(7-11)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyOSFASWQZXWCQMW-UHFFFAOYSA-N
XLogP2.35
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate
CID 87328863
[(E)-1-phenylethylideneamino] acetate
CID 5392489
[(Z)-1-phenylhex-4-ynylideneamino] acetate
CID 177440442
[(5-oxo-5-phenylpentan-2-ylidene)amino] acetate
CID 173378675
[(Z)-1,2,2-triphenylethylideneamino] acetate
CID 53467016
ethyl [(E)-1-phenylpropylideneamino] carbonate
CID 134874580
[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate
CID 166064621
[(Z)-1-(2-methylphenyl)ethylideneamino] acetate
CID 118122967
[(E)-(2,2,5-trimethyl-1-phenylhex-4-enylidene)amino] acetate
CID 135073334
bromomethane;2-bromo-1-phenylethanone;ethane
CID 90907138
5-bromo-4-phenylpent-3-en-2-one
CID 54089835
[(Z)-[(3Z)-3-(phenylhydrazinylidene)butan-2-ylidene]amino] acetate
CID 6413961

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-1-phenylethylidene)amino] acetate?
The IUPAC name of [(2-bromo-1-phenylethylidene)amino] acetate (CID 86233217) is [(2-bromo-1-phenylethylidene)amino] acetate.
What is the SMILES notation for [(2-bromo-1-phenylethylidene)amino] acetate?
The canonical SMILES for [(2-bromo-1-phenylethylidene)amino] acetate is CC(=O)ON=C(CBr)c1ccccc1.
What is the InChIKey of [(2-bromo-1-phenylethylidene)amino] acetate?
The InChIKey is OSFASWQZXWCQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-8(13)14-12-10(7-11)9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of [(2-bromo-1-phenylethylidene)amino] acetate?
[(2-bromo-1-phenylethylidene)amino] acetate has a molecular weight of 256.10 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-1-phenylethylidene)amino] acetate is sourced from PubChem (CID 86233217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).