(NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine

C9H10BrNO — CID 89415418

IUPAC(NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccccc1Br)=N\O
InChIInChI=1S/C9H10BrNO/c1-7(11-12)6-8-4-2-3-5-9(8)10/h2-5,12H,6H2,1H3/b11-7+
InChIKeyBMAOTQUDOBIXCO-YRNVUSSQSA-N
MW228.09 g/mol
LogP2.84
Rot. Bonds2

About (NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine

(NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine (PubChem CID 89415418) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is (NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine
PubChem CID89415418
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name(NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccccc1Br)=N\O
InChIInChI=1S/C9H10BrNO/c1-7(11-12)6-8-4-2-3-5-9(8)10/h2-5,12H,6H2,1H3/b11-7+
InChIKeyBMAOTQUDOBIXCO-YRNVUSSQSA-N
XLogP2.84
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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N-[(2-bromophenyl)methyl]acetamide
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[2-(2-bromophenyl)acetyl] propanoate
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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine (CID 89415418) is (NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine is C/C(Cc1ccccc1Br)=N\O.
What is the InChIKey of (NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine?
The InChIKey is BMAOTQUDOBIXCO-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-7(11-12)6-8-4-2-3-5-9(8)10/h2-5,12H,6H2,1H3/b11-7+.
What are the key properties of (NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine?
(NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine has a molecular weight of 228.09 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 89415418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).