N-(azepin-3-ylidene)hydroxylamine

C6H6N2O — CID 174525817

IUPACN-(azepin-3-ylidene)hydroxylamine
SMILESON=c1ccccnc1
InChIInChI=1S/C6H6N2O/c9-8-6-3-1-2-4-7-5-6/h1-5,9H
InChIKeyUCHGUYIRURZGNE-UHFFFAOYSA-N
MW122.13 g/mol
LogP0.37
Rot. Bonds

About N-(azepin-3-ylidene)hydroxylamine

N-(azepin-3-ylidene)hydroxylamine (PubChem CID 174525817) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is N-(azepin-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(azepin-3-ylidene)hydroxylamine
PubChem CID174525817
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC NameN-(azepin-3-ylidene)hydroxylamine
SMILESON=c1ccccnc1
InChIInChI=1S/C6H6N2O/c9-8-6-3-1-2-4-7-5-6/h1-5,9H
InChIKeyUCHGUYIRURZGNE-UHFFFAOYSA-N
XLogP0.37
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 N-(azepin-3-ylidene)hydroxylamine?
The IUPAC name of N-(azepin-3-ylidene)hydroxylamine (CID 174525817) is N-(azepin-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(azepin-3-ylidene)hydroxylamine?
The canonical SMILES for N-(azepin-3-ylidene)hydroxylamine is ON=c1ccccnc1.
What is the InChIKey of N-(azepin-3-ylidene)hydroxylamine?
The InChIKey is UCHGUYIRURZGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c9-8-6-3-1-2-4-7-5-6/h1-5,9H.
What are the key properties of N-(azepin-3-ylidene)hydroxylamine?
N-(azepin-3-ylidene)hydroxylamine has a molecular weight of 122.13 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepin-3-ylidene)hydroxylamine is sourced from PubChem (CID 174525817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).