N-[(E)-2-bromo-2-hydrazinylethenyl]aniline

C8H10BrN3 — CID 177153745

IUPACN-[(E)-2-bromo-2-hydrazinylethenyl]aniline
SMILESNN/C(Br)=C\Nc1ccccc1
InChIInChI=1S/C8H10BrN3/c9-8(12-10)6-11-7-4-2-1-3-5-7/h1-6,11-12H,10H2/b8-6-
InChIKeyDHCOMSFNHDTZHR-VURMDHGXSA-N
MW228.09 g/mol
LogP1.76
Rot. Bonds3

About N-[(E)-2-bromo-2-hydrazinylethenyl]aniline

N-[(E)-2-bromo-2-hydrazinylethenyl]aniline (PubChem CID 177153745) has the molecular formula C8H10BrN3 and a molecular weight of 228.09 g/mol. Its IUPAC name is N-[(E)-2-bromo-2-hydrazinylethenyl]aniline.

Molecular Properties

Compound NameN-[(E)-2-bromo-2-hydrazinylethenyl]aniline
PubChem CID177153745
Molecular FormulaC8H10BrN3
Molecular Weight228.09 g/mol
Exact Mass227.01
IUPAC NameN-[(E)-2-bromo-2-hydrazinylethenyl]aniline
SMILESNN/C(Br)=C\Nc1ccccc1
InChIInChI=1S/C8H10BrN3/c9-8(12-10)6-11-7-4-2-1-3-5-7/h1-6,11-12H,10H2/b8-6-
InChIKeyDHCOMSFNHDTZHR-VURMDHGXSA-N
XLogP1.76
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', '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 N-[(E)-2-bromo-2-hydrazinylethenyl]aniline?
The IUPAC name of N-[(E)-2-bromo-2-hydrazinylethenyl]aniline (CID 177153745) is N-[(E)-2-bromo-2-hydrazinylethenyl]aniline.
What is the SMILES notation for N-[(E)-2-bromo-2-hydrazinylethenyl]aniline?
The canonical SMILES for N-[(E)-2-bromo-2-hydrazinylethenyl]aniline is NN/C(Br)=C\Nc1ccccc1.
What is the InChIKey of N-[(E)-2-bromo-2-hydrazinylethenyl]aniline?
The InChIKey is DHCOMSFNHDTZHR-VURMDHGXSA-N. The full InChI is InChI=1S/C8H10BrN3/c9-8(12-10)6-11-7-4-2-1-3-5-7/h1-6,11-12H,10H2/b8-6-.
What are the key properties of N-[(E)-2-bromo-2-hydrazinylethenyl]aniline?
N-[(E)-2-bromo-2-hydrazinylethenyl]aniline has a molecular weight of 228.09 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-bromo-2-hydrazinylethenyl]aniline is sourced from PubChem (CID 177153745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).