(NE)-N-[1-(4-bromophenyl)propylidene]hydroxylamine

C9H10BrNO — CID 10489503

IUPAC(NE)-N-[1-(4-bromophenyl)propylidene]hydroxylamine
SMILESCC/C(=N\O)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO/c1-2-9(11-12)7-3-5-8(10)6-4-7/h3-6,12H,2H2,1H3/b11-9+
InChIKeyPZVIKFISRYRNFR-PKNBQFBNSA-N
MW228.09 g/mol
LogP3.04
Rot. Bonds2

About (NE)-N-[1-(4-bromophenyl)propylidene]hydroxylamine

(NE)-N-[1-(4-bromophenyl)propylidene]hydroxylamine (PubChem CID 10489503) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is (NE)-N-[1-(4-bromophenyl)propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4-bromophenyl)propylidene]hydroxylamine
PubChem CID10489503
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name(NE)-N-[1-(4-bromophenyl)propylidene]hydroxylamine
SMILESCC/C(=N\O)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO/c1-2-9(11-12)7-3-5-8(10)6-4-7/h3-6,12H,2H2,1H3/b11-9+
InChIKeyPZVIKFISRYRNFR-PKNBQFBNSA-N
XLogP3.04
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 ≤ 53.04
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'}

Analyze (NE)-N-[1-(4-bromophenyl)propylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(4-bromophenyl)propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4-bromophenyl)propylidene]hydroxylamine (CID 10489503) is (NE)-N-[1-(4-bromophenyl)propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4-bromophenyl)propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4-bromophenyl)propylidene]hydroxylamine is CC/C(=N\O)c1ccc(Br)cc1.
What is the InChIKey of (NE)-N-[1-(4-bromophenyl)propylidene]hydroxylamine?
The InChIKey is PZVIKFISRYRNFR-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-2-9(11-12)7-3-5-8(10)6-4-7/h3-6,12H,2H2,1H3/b11-9+.
What are the key properties of (NE)-N-[1-(4-bromophenyl)propylidene]hydroxylamine?
(NE)-N-[1-(4-bromophenyl)propylidene]hydroxylamine has a molecular weight of 228.09 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-bromophenyl)propylidene]hydroxylamine is sourced from PubChem (CID 10489503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).