(NE)-N-[(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine

C9H8Cl3N3O — CID 135445545

IUPAC(NE)-N-[(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine
SMILESCC(/C=N/O)=N\Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl3N3O/c1-5(4-13-16)14-15-9-7(11)2-6(10)3-8(9)12/h2-4,15-16H,1H3/b13-4+,14-5+
InChIKeyGUCLHJDRRVAKLB-PCSLFHOQSA-N
MW280.54 g/mol
LogP3.89
Rot. Bonds3

About (NE)-N-[(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine

(NE)-N-[(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine (PubChem CID 135445545) has the molecular formula C9H8Cl3N3O and a molecular weight of 280.54 g/mol. Its IUPAC name is (NE)-N-[(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine
PubChem CID135445545
Molecular FormulaC9H8Cl3N3O
Molecular Weight280.54 g/mol
Exact Mass278.97
IUPAC Name(NE)-N-[(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine
SMILESCC(/C=N/O)=N\Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl3N3O/c1-5(4-13-16)14-15-9-7(11)2-6(10)3-8(9)12/h2-4,15-16H,1H3/b13-4+,14-5+
InChIKeyGUCLHJDRRVAKLB-PCSLFHOQSA-N
XLogP3.89
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.54
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (NE)-N-[(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine (CID 135445545) is (NE)-N-[(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine is CC(/C=N/O)=N\Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of (NE)-N-[(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine?
The InChIKey is GUCLHJDRRVAKLB-PCSLFHOQSA-N. The full InChI is InChI=1S/C9H8Cl3N3O/c1-5(4-13-16)14-15-9-7(11)2-6(10)3-8(9)12/h2-4,15-16H,1H3/b13-4+,14-5+.
What are the key properties of (NE)-N-[(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine?
(NE)-N-[(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine has a molecular weight of 280.54 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine is sourced from PubChem (CID 135445545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).