(NZ)-N-[(2R)-2-(3-bromophenyl)propylidene]hydroxylamine

C9H10BrNO — CID 163196897

IUPAC(NZ)-N-[(2R)-2-(3-bromophenyl)propylidene]hydroxylamine
SMILESC[C@@H](/C=N\O)c1cccc(Br)c1
InChIInChI=1S/C9H10BrNO/c1-7(6-11-12)8-3-2-4-9(10)5-8/h2-7,12H,1H3/b11-6-/t7-/m0/s1
InChIKeySPBCOZIJYSLWMT-KSRYWAHESA-N
MW228.09 g/mol
LogP3.01
Rot. Bonds2

About (NZ)-N-[(2R)-2-(3-bromophenyl)propylidene]hydroxylamine

(NZ)-N-[(2R)-2-(3-bromophenyl)propylidene]hydroxylamine (PubChem CID 163196897) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is (NZ)-N-[(2R)-2-(3-bromophenyl)propylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2R)-2-(3-bromophenyl)propylidene]hydroxylamine
PubChem CID163196897
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name(NZ)-N-[(2R)-2-(3-bromophenyl)propylidene]hydroxylamine
SMILESC[C@@H](/C=N\O)c1cccc(Br)c1
InChIInChI=1S/C9H10BrNO/c1-7(6-11-12)8-3-2-4-9(10)5-8/h2-7,12H,1H3/b11-6-/t7-/m0/s1
InChIKeySPBCOZIJYSLWMT-KSRYWAHESA-N
XLogP3.01
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 ≤ 53.01
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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2R)-2-(3-bromophenyl)propylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2R)-2-(3-bromophenyl)propylidene]hydroxylamine (CID 163196897) is (NZ)-N-[(2R)-2-(3-bromophenyl)propylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2R)-2-(3-bromophenyl)propylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2R)-2-(3-bromophenyl)propylidene]hydroxylamine is C[C@@H](/C=N\O)c1cccc(Br)c1.
What is the InChIKey of (NZ)-N-[(2R)-2-(3-bromophenyl)propylidene]hydroxylamine?
The InChIKey is SPBCOZIJYSLWMT-KSRYWAHESA-N. The full InChI is InChI=1S/C9H10BrNO/c1-7(6-11-12)8-3-2-4-9(10)5-8/h2-7,12H,1H3/b11-6-/t7-/m0/s1.
What are the key properties of (NZ)-N-[(2R)-2-(3-bromophenyl)propylidene]hydroxylamine?
(NZ)-N-[(2R)-2-(3-bromophenyl)propylidene]hydroxylamine has a molecular weight of 228.09 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2R)-2-(3-bromophenyl)propylidene]hydroxylamine is sourced from PubChem (CID 163196897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).