1-[3-bromo-2-[(E)-2-phenylethenyl]phenyl]-1-methylhydrazine;formohydrazide

C16H19BrN4O — CID 144838820

IUPAC1-[3-bromo-2-[(E)-2-phenylethenyl]phenyl]-1-methylhydrazine;formohydrazide
SMILESCN(N)c1cccc(Br)c1/C=C/c1ccccc1.NNC=O
InChIInChI=1S/C15H15BrN2.CH4N2O/c1-18(17)15-9-5-8-14(16)13(15)11-10-12-6-3-2-4-7-12;2-3-1-4/h2-11H,17H2,1H3;1H,2H2,(H,3,4)/b11-10+;
InChIKeyNSOJKHFOBXGZNQ-ASTDGNLGSA-N
MW363.26 g/mol
LogP2.54
Rot. Bonds4

About 1-[3-bromo-2-[(E)-2-phenylethenyl]phenyl]-1-methylhydrazine;formohydrazide

1-[3-bromo-2-[(E)-2-phenylethenyl]phenyl]-1-methylhydrazine;formohydrazide (PubChem CID 144838820) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 1-[3-bromo-2-[(E)-2-phenylethenyl]phenyl]-1-methylhydrazine;formohydrazide.

Molecular Properties

Compound Name1-[3-bromo-2-[(E)-2-phenylethenyl]phenyl]-1-methylhydrazine;formohydrazide
PubChem CID144838820
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name1-[3-bromo-2-[(E)-2-phenylethenyl]phenyl]-1-methylhydrazine;formohydrazide
SMILESCN(N)c1cccc(Br)c1/C=C/c1ccccc1.NNC=O
InChIInChI=1S/C15H15BrN2.CH4N2O/c1-18(17)15-9-5-8-14(16)13(15)11-10-12-6-3-2-4-7-12;2-3-1-4/h2-11H,17H2,1H3;1H,2H2,(H,3,4)/b11-10+;
InChIKeyNSOJKHFOBXGZNQ-ASTDGNLGSA-N
XLogP2.54
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-[(E)-2-phenylethenyl]phenyl]-1-methylhydrazine;formohydrazide?
The IUPAC name of 1-[3-bromo-2-[(E)-2-phenylethenyl]phenyl]-1-methylhydrazine;formohydrazide (CID 144838820) is 1-[3-bromo-2-[(E)-2-phenylethenyl]phenyl]-1-methylhydrazine;formohydrazide.
What is the SMILES notation for 1-[3-bromo-2-[(E)-2-phenylethenyl]phenyl]-1-methylhydrazine;formohydrazide?
The canonical SMILES for 1-[3-bromo-2-[(E)-2-phenylethenyl]phenyl]-1-methylhydrazine;formohydrazide is CN(N)c1cccc(Br)c1/C=C/c1ccccc1.NNC=O.
What is the InChIKey of 1-[3-bromo-2-[(E)-2-phenylethenyl]phenyl]-1-methylhydrazine;formohydrazide?
The InChIKey is NSOJKHFOBXGZNQ-ASTDGNLGSA-N. The full InChI is InChI=1S/C15H15BrN2.CH4N2O/c1-18(17)15-9-5-8-14(16)13(15)11-10-12-6-3-2-4-7-12;2-3-1-4/h2-11H,17H2,1H3;1H,2H2,(H,3,4)/b11-10+;.
What are the key properties of 1-[3-bromo-2-[(E)-2-phenylethenyl]phenyl]-1-methylhydrazine;formohydrazide?
1-[3-bromo-2-[(E)-2-phenylethenyl]phenyl]-1-methylhydrazine;formohydrazide has a molecular weight of 363.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-[(E)-2-phenylethenyl]phenyl]-1-methylhydrazine;formohydrazide is sourced from PubChem (CID 144838820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).