(NE)-N-[1-(4-bromophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine

C10H13BrN2O2 — CID 5348568

IUPAC(NE)-N-[1-(4-bromophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine
SMILESCC(C)(NO)/C(=N/O)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O2/c1-10(2,13-15)9(12-14)7-3-5-8(11)6-4-7/h3-6,13-15H,1-2H3/b12-9+
InChIKeyOAXNJDAEFNNJEI-FMIVXFBMSA-N
MW273.13 g/mol
LogP2.38
Rot. Bonds3

About (NE)-N-[1-(4-bromophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine

(NE)-N-[1-(4-bromophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine (PubChem CID 5348568) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is (NE)-N-[1-(4-bromophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4-bromophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine
PubChem CID5348568
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name(NE)-N-[1-(4-bromophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine
SMILESCC(C)(NO)/C(=N/O)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O2/c1-10(2,13-15)9(12-14)7-3-5-8(11)6-4-7/h3-6,13-15H,1-2H3/b12-9+
InChIKeyOAXNJDAEFNNJEI-FMIVXFBMSA-N
XLogP2.38
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.38
H-Bond Donors ≤ 53
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-[1-(4-bromophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4-bromophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine (CID 5348568) is (NE)-N-[1-(4-bromophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4-bromophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4-bromophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine is CC(C)(NO)/C(=N/O)c1ccc(Br)cc1.
What is the InChIKey of (NE)-N-[1-(4-bromophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine?
The InChIKey is OAXNJDAEFNNJEI-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-10(2,13-15)9(12-14)7-3-5-8(11)6-4-7/h3-6,13-15H,1-2H3/b12-9+.
What are the key properties of (NE)-N-[1-(4-bromophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine?
(NE)-N-[1-(4-bromophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine has a molecular weight of 273.13 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-bromophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine is sourced from PubChem (CID 5348568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).