(NZ)-N-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydroxylamine

C8H6BrNO3 — CID 5395404

IUPAC(NZ)-N-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydroxylamine
SMILESO/N=C\c1cc2c(cc1Br)OCO2
InChIInChI=1S/C8H6BrNO3/c9-6-2-8-7(12-4-13-8)1-5(6)3-10-11/h1-3,11H,4H2/b10-3-
InChIKeyLDVWAWRHAYQDDA-KMKOMSMNSA-N
MW244.04 g/mol
LogP1.99
Rot. Bonds1

About (NZ)-N-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydroxylamine

(NZ)-N-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydroxylamine (PubChem CID 5395404) has the molecular formula C8H6BrNO3 and a molecular weight of 244.04 g/mol. Its IUPAC name is (NZ)-N-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydroxylamine
PubChem CID5395404
Molecular FormulaC8H6BrNO3
Molecular Weight244.04 g/mol
Exact Mass242.95
IUPAC Name(NZ)-N-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydroxylamine
SMILESO/N=C\c1cc2c(cc1Br)OCO2
InChIInChI=1S/C8H6BrNO3/c9-6-2-8-7(12-4-13-8)1-5(6)3-10-11/h1-3,11H,4H2/b10-3-
InChIKeyLDVWAWRHAYQDDA-KMKOMSMNSA-N
XLogP1.99
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 51.99
H-Bond Donors ≤ 51
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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Related Compounds

1,3-Benzodioxole-5-carboxaldehyde, oxime
CID 6861467
5-Bromo-6-(bromomethyl)-1,3-benzodioxole
CID 95063
N'-[(Z)-(6-Bromo-2H-1,3-benzodioxol-5-YL)methylidene]methoxycarbohydrazide
CID 5808949
5-Bromo-6-methyl-1,3-benzodioxole
CID 78728
(3-Bromo-4,5-dimethoxyphenyl)(hydroxyimino)methane
CID 6864707
1,3-Benzodioxole-5-carbaldehyde oxime
CID 95280
6-Bromo-1,3-benzodioxole-5-ethanamine
CID 10999251
2-((6-Bromobenzo[d][1,3]dioxol-5-yl)-methylene)hydrazinecarbothioamide
CID 9556528
1-(6-bromo-1,3-benzodioxol-5-yl)-N-tert-butylmethanimine oxide
CID 44437446
1-(2-bromo-4,5-dimethoxyphenyl)-N-tert-butylmethanimine oxide
CID 53317309
(6-Bromo-1,3-benzodioxol-5-yl)methyl selenocyanate
CID 134137753
CID 134139339
CID 134139339

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydroxylamine (CID 5395404) is (NZ)-N-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydroxylamine is O/N=C\c1cc2c(cc1Br)OCO2.
What is the InChIKey of (NZ)-N-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydroxylamine?
The InChIKey is LDVWAWRHAYQDDA-KMKOMSMNSA-N. The full InChI is InChI=1S/C8H6BrNO3/c9-6-2-8-7(12-4-13-8)1-5(6)3-10-11/h1-3,11H,4H2/b10-3-.
What are the key properties of (NZ)-N-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydroxylamine?
(NZ)-N-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydroxylamine has a molecular weight of 244.04 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 5395404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).