N-[(E)-2-bromo-4-phenylbut-3-enylidene]hydroxylamine

C10H10BrNO — CID 174684971

IUPACN-[(E)-2-bromo-4-phenylbut-3-enylidene]hydroxylamine
SMILESON=CC(Br)/C=C/c1ccccc1
InChIInChI=1S/C10H10BrNO/c11-10(8-12-13)7-6-9-4-2-1-3-5-9/h1-8,10,13H/b7-6+,12-8?
InChIKeyTWIDIFMYGZNPQN-PSSAGTMVSA-N
MW240.10 g/mol
LogP2.92
Rot. Bonds3

About N-[(E)-2-bromo-4-phenylbut-3-enylidene]hydroxylamine

N-[(E)-2-bromo-4-phenylbut-3-enylidene]hydroxylamine (PubChem CID 174684971) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is N-[(E)-2-bromo-4-phenylbut-3-enylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(E)-2-bromo-4-phenylbut-3-enylidene]hydroxylamine
PubChem CID174684971
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC NameN-[(E)-2-bromo-4-phenylbut-3-enylidene]hydroxylamine
SMILESON=CC(Br)/C=C/c1ccccc1
InChIInChI=1S/C10H10BrNO/c11-10(8-12-13)7-6-9-4-2-1-3-5-9/h1-8,10,13H/b7-6+,12-8?
InChIKeyTWIDIFMYGZNPQN-PSSAGTMVSA-N
XLogP2.92
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-2-bromo-4-phenylbut-3-enylidene]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 N-[(E)-2-bromo-4-phenylbut-3-enylidene]hydroxylamine?
The IUPAC name of N-[(E)-2-bromo-4-phenylbut-3-enylidene]hydroxylamine (CID 174684971) is N-[(E)-2-bromo-4-phenylbut-3-enylidene]hydroxylamine.
What is the SMILES notation for N-[(E)-2-bromo-4-phenylbut-3-enylidene]hydroxylamine?
The canonical SMILES for N-[(E)-2-bromo-4-phenylbut-3-enylidene]hydroxylamine is ON=CC(Br)/C=C/c1ccccc1.
What is the InChIKey of N-[(E)-2-bromo-4-phenylbut-3-enylidene]hydroxylamine?
The InChIKey is TWIDIFMYGZNPQN-PSSAGTMVSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-10(8-12-13)7-6-9-4-2-1-3-5-9/h1-8,10,13H/b7-6+,12-8?.
What are the key properties of N-[(E)-2-bromo-4-phenylbut-3-enylidene]hydroxylamine?
N-[(E)-2-bromo-4-phenylbut-3-enylidene]hydroxylamine has a molecular weight of 240.10 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-bromo-4-phenylbut-3-enylidene]hydroxylamine is sourced from PubChem (CID 174684971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).