N-(2-hydroxyiminooctan-3-ylidene)hydroxylamine

C8H16N2O2 — CID 135443973

IUPACN-(2-hydroxyiminooctan-3-ylidene)hydroxylamine
SMILESCCCCCC(=NO)C(C)=NO
InChIInChI=1S/C8H16N2O2/c1-3-4-5-6-8(10-12)7(2)9-11/h11-12H,3-6H2,1-2H3
InChIKeyQWZWEPGZEVKURL-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.25
Rot. Bonds5

About N-(2-hydroxyiminooctan-3-ylidene)hydroxylamine

N-(2-hydroxyiminooctan-3-ylidene)hydroxylamine (PubChem CID 135443973) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-(2-hydroxyiminooctan-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-hydroxyiminooctan-3-ylidene)hydroxylamine
PubChem CID135443973
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-(2-hydroxyiminooctan-3-ylidene)hydroxylamine
SMILESCCCCCC(=NO)C(C)=NO
InChIInChI=1S/C8H16N2O2/c1-3-4-5-6-8(10-12)7(2)9-11/h11-12H,3-6H2,1-2H3
InChIKeyQWZWEPGZEVKURL-UHFFFAOYSA-N
XLogP2.25
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-(2-hydroxyiminooctan-3-ylidene)hydroxylamine?
The IUPAC name of N-(2-hydroxyiminooctan-3-ylidene)hydroxylamine (CID 135443973) is N-(2-hydroxyiminooctan-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(2-hydroxyiminooctan-3-ylidene)hydroxylamine?
The canonical SMILES for N-(2-hydroxyiminooctan-3-ylidene)hydroxylamine is CCCCCC(=NO)C(C)=NO.
What is the InChIKey of N-(2-hydroxyiminooctan-3-ylidene)hydroxylamine?
The InChIKey is QWZWEPGZEVKURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-4-5-6-8(10-12)7(2)9-11/h11-12H,3-6H2,1-2H3.
What are the key properties of N-(2-hydroxyiminooctan-3-ylidene)hydroxylamine?
N-(2-hydroxyiminooctan-3-ylidene)hydroxylamine has a molecular weight of 172.23 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyiminooctan-3-ylidene)hydroxylamine is sourced from PubChem (CID 135443973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).