(NE)-N-[1-(2-azidophenyl)ethylidene]hydroxylamine

C8H8N4O — CID 12791909

IUPAC(NE)-N-[1-(2-azidophenyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C8H8N4O/c1-6(11-13)7-4-2-3-5-8(7)10-12-9/h2-5,13H,1H3/b11-6+
InChIKeyKHEGVCDCVKLORP-IZZDOVSWSA-N
MW176.18 g/mol
LogP2.83
Rot. Bonds2

About (NE)-N-[1-(2-azidophenyl)ethylidene]hydroxylamine

(NE)-N-[1-(2-azidophenyl)ethylidene]hydroxylamine (PubChem CID 12791909) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is (NE)-N-[1-(2-azidophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-azidophenyl)ethylidene]hydroxylamine
PubChem CID12791909
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name(NE)-N-[1-(2-azidophenyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C8H8N4O/c1-6(11-13)7-4-2-3-5-8(7)10-12-9/h2-5,13H,1H3/b11-6+
InChIKeyKHEGVCDCVKLORP-IZZDOVSWSA-N
XLogP2.83
TPSA81.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2-azidophenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-azidophenyl)ethylidene]hydroxylamine (CID 12791909) is (NE)-N-[1-(2-azidophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-azidophenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-azidophenyl)ethylidene]hydroxylamine is C/C(=N\O)c1ccccc1N=[N+]=[N-].
What is the InChIKey of (NE)-N-[1-(2-azidophenyl)ethylidene]hydroxylamine?
The InChIKey is KHEGVCDCVKLORP-IZZDOVSWSA-N. The full InChI is InChI=1S/C8H8N4O/c1-6(11-13)7-4-2-3-5-8(7)10-12-9/h2-5,13H,1H3/b11-6+.
What are the key properties of (NE)-N-[1-(2-azidophenyl)ethylidene]hydroxylamine?
(NE)-N-[1-(2-azidophenyl)ethylidene]hydroxylamine has a molecular weight of 176.18 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2-azidophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 12791909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).