(NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine

C12H10BrNO2 — CID 50879288

IUPAC(NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine
SMILESCc1ccc(-c2ccc(/C=N/O)o2)c(Br)c1
InChIInChI=1S/C12H10BrNO2/c1-8-2-4-10(11(13)6-8)12-5-3-9(16-12)7-14-15/h2-7,15H,1H3/b14-7+
InChIKeyUMIRLYBZAWOWOU-VGOFMYFVSA-N
MW280.12 g/mol
LogP3.83
Rot. Bonds2

About (NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine

(NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine (PubChem CID 50879288) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is (NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine
PubChem CID50879288
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name(NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine
SMILESCc1ccc(-c2ccc(/C=N/O)o2)c(Br)c1
InChIInChI=1S/C12H10BrNO2/c1-8-2-4-10(11(13)6-8)12-5-3-9(16-12)7-14-15/h2-7,15H,1H3/b14-7+
InChIKeyUMIRLYBZAWOWOU-VGOFMYFVSA-N
XLogP3.83
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

(NZ)-N-[[5-(2-bromophenyl)furan-2-yl]methylidene]hydroxylamine
CID 5424769
(NZ)-N-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]hydroxylamine
CID 28875195
1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine
CID 126253258
2-(2-bromo-4-methylphenyl)-5-(2-nitroethenyl)furan
CID 898866
N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 126233765
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 73164714
N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-4-cyano-2-fluorobenzamide
CID 5457788
5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide
CID 50879311
N-[(2R)-1-[(2Z)-2-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydrazinyl]-1-oxopropan-2-yl]-2-chlorobenzamide
CID 126177531
N-[(2R)-1-[(2E)-2-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 126157843
N-[(2S)-1-[(2Z)-2-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3,5-dinitrobenzamide
CID 126175414
5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2872145

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine (CID 50879288) is (NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine is Cc1ccc(-c2ccc(/C=N/O)o2)c(Br)c1.
What is the InChIKey of (NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine?
The InChIKey is UMIRLYBZAWOWOU-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-8-2-4-10(11(13)6-8)12-5-3-9(16-12)7-14-15/h2-7,15H,1H3/b14-7+.
What are the key properties of (NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine?
(NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine has a molecular weight of 280.12 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 50879288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).