(NE)-N-[(2E)-2-[(4-bromophenyl)hydrazinylidene]propylidene]hydroxylamine;ethane;methane

C12H20BrN3O — CID 171625948

IUPAC(NE)-N-[(2E)-2-[(4-bromophenyl)hydrazinylidene]propylidene]hydroxylamine;ethane;methane
SMILESC.CC.CC(/C=N/O)=N\Nc1ccc(Br)cc1
InChIInChI=1S/C9H10BrN3O.C2H6.CH4/c1-7(6-11-14)12-13-9-4-2-8(10)3-5-9;1-2;/h2-6,13-14H,1H3;1-2H3;1H4/b11-6+,12-7+;;
InChIKeyZCXTWEURJMDJPQ-YTSWEKPFSA-N
MW302.22 g/mol
LogP4.36
Rot. Bonds3

About (NE)-N-[(2E)-2-[(4-bromophenyl)hydrazinylidene]propylidene]hydroxylamine;ethane;methane

(NE)-N-[(2E)-2-[(4-bromophenyl)hydrazinylidene]propylidene]hydroxylamine;ethane;methane (PubChem CID 171625948) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is (NE)-N-[(2E)-2-[(4-bromophenyl)hydrazinylidene]propylidene]hydroxylamine;ethane;methane.

Molecular Properties

Compound Name(NE)-N-[(2E)-2-[(4-bromophenyl)hydrazinylidene]propylidene]hydroxylamine;ethane;methane
PubChem CID171625948
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name(NE)-N-[(2E)-2-[(4-bromophenyl)hydrazinylidene]propylidene]hydroxylamine;ethane;methane
SMILESC.CC.CC(/C=N/O)=N\Nc1ccc(Br)cc1
InChIInChI=1S/C9H10BrN3O.C2H6.CH4/c1-7(6-11-14)12-13-9-4-2-8(10)3-5-9;1-2;/h2-6,13-14H,1H3;1-2H3;1H4/b11-6+,12-7+;;
InChIKeyZCXTWEURJMDJPQ-YTSWEKPFSA-N
XLogP4.36
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 54.36
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-[(4-bromophenyl)hydrazinylidene]propylidene]hydroxylamine;ethane;methane?
The IUPAC name of (NE)-N-[(2E)-2-[(4-bromophenyl)hydrazinylidene]propylidene]hydroxylamine;ethane;methane (CID 171625948) is (NE)-N-[(2E)-2-[(4-bromophenyl)hydrazinylidene]propylidene]hydroxylamine;ethane;methane.
What is the SMILES notation for (NE)-N-[(2E)-2-[(4-bromophenyl)hydrazinylidene]propylidene]hydroxylamine;ethane;methane?
The canonical SMILES for (NE)-N-[(2E)-2-[(4-bromophenyl)hydrazinylidene]propylidene]hydroxylamine;ethane;methane is C.CC.CC(/C=N/O)=N\Nc1ccc(Br)cc1.
What is the InChIKey of (NE)-N-[(2E)-2-[(4-bromophenyl)hydrazinylidene]propylidene]hydroxylamine;ethane;methane?
The InChIKey is ZCXTWEURJMDJPQ-YTSWEKPFSA-N. The full InChI is InChI=1S/C9H10BrN3O.C2H6.CH4/c1-7(6-11-14)12-13-9-4-2-8(10)3-5-9;1-2;/h2-6,13-14H,1H3;1-2H3;1H4/b11-6+,12-7+;;.
What are the key properties of (NE)-N-[(2E)-2-[(4-bromophenyl)hydrazinylidene]propylidene]hydroxylamine;ethane;methane?
(NE)-N-[(2E)-2-[(4-bromophenyl)hydrazinylidene]propylidene]hydroxylamine;ethane;methane has a molecular weight of 302.22 g/mol, XLogP of 4.36, 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-[(4-bromophenyl)hydrazinylidene]propylidene]hydroxylamine;ethane;methane is sourced from PubChem (CID 171625948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).