N-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]hydroxylamine

C10H10BrNO2 — CID 2766903

IUPACN-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
SMILESC=CCOc1ccc(Br)cc1C=NO
InChIInChI=1S/C10H10BrNO2/c1-2-5-14-10-4-3-9(11)6-8(10)7-12-13/h2-4,6-7,13H,1,5H2
InChIKeyQUXREYUICQSXSX-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.82
Rot. Bonds4

About N-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]hydroxylamine

N-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]hydroxylamine (PubChem CID 2766903) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is N-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
PubChem CID2766903
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC NameN-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
SMILESC=CCOc1ccc(Br)cc1C=NO
InChIInChI=1S/C10H10BrNO2/c1-2-5-14-10-4-3-9(11)6-8(10)7-12-13/h2-4,6-7,13H,1,5H2
InChIKeyQUXREYUICQSXSX-UHFFFAOYSA-N
XLogP2.82
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(Benzyloxy)-3,5-dibromobenzaldehyde oxime
CID 6874484
(E)-2-(allyloxy)benzaldehyde oxime
CID 6867701
{4-Bromo-2-[(hydroxyimino)methyl]phenoxy}acetic acid
CID 6894601
5-Bromo-2-[(3-fluorobenzyl)oxy]benzaldehyde oxime
CID 6898098
4-(Benzyloxy)-3-bromobenzaldehyde oxime
CID 6898112
5-Bromo-2-(2-propyn-1-yloxy)benzaldehyde oxime
CID 6898144
5-Bromo-2-[(4-methylbenzyl)oxy]benzaldehyde oxime
CID 6898195
5-Bromo-2-[(4-fluorobenzyl)oxy]benzaldehyde oxime
CID 6898227
5-Bromo-2-[(2-fluorobenzyl)oxy]benzaldehyde oxime
CID 6898238
(2E)-2-{5-bromo-2-[(4-fluorobenzyl)oxy]benzylidene}hydrazinecarboximidamide
CID 16728611
1-[(E)-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyleneamino]guanidine
CID 16728612
5-Bromo-2-propoxybenzaldehyde oxime
CID 6894153

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]hydroxylamine (CID 2766903) is N-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]hydroxylamine is C=CCOc1ccc(Br)cc1C=NO.
What is the InChIKey of N-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]hydroxylamine?
The InChIKey is QUXREYUICQSXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-2-5-14-10-4-3-9(11)6-8(10)7-12-13/h2-4,6-7,13H,1,5H2.
What are the key properties of N-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]hydroxylamine?
N-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]hydroxylamine has a molecular weight of 256.10 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 2766903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).