N-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine

C8H8N4O — CID 76540150

IUPACN-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine
SMILES[N-]=[N+]=NCc1ccc(C=NO)cc1
InChIInChI=1S/C8H8N4O/c9-12-10-5-7-1-3-8(4-2-7)6-11-13/h1-4,6,13H,5H2
InChIKeyPRSLRHLZXKHBFD-UHFFFAOYSA-N
MW176.18 g/mol
LogP2.31
Rot. Bonds3

About N-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine

N-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine (PubChem CID 76540150) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is N-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine
PubChem CID76540150
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC NameN-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine
SMILES[N-]=[N+]=NCc1ccc(C=NO)cc1
InChIInChI=1S/C8H8N4O/c9-12-10-5-7-1-3-8(4-2-7)6-11-13/h1-4,6,13H,5H2
InChIKeyPRSLRHLZXKHBFD-UHFFFAOYSA-N
XLogP2.31
TPSA81.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 52.31
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 N-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine (CID 76540150) is N-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine is [N-]=[N+]=NCc1ccc(C=NO)cc1.
What is the InChIKey of N-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine?
The InChIKey is PRSLRHLZXKHBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-12-10-5-7-1-3-8(4-2-7)6-11-13/h1-4,6,13H,5H2.
What are the key properties of N-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine?
N-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine has a molecular weight of 176.18 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 76540150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).