N-(5-hydroxyimino-4-methylpentan-2-ylidene)hydroxylamine

C6H12N2O2 — CID 131888564

IUPACN-(5-hydroxyimino-4-methylpentan-2-ylidene)hydroxylamine
SMILESCC(CC(C)C=NO)=NO
InChIInChI=1S/C6H12N2O2/c1-5(4-7-9)3-6(2)8-10/h4-5,9-10H,3H2,1-2H3
InChIKeyHHCUYEDRCUXKAI-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.32
Rot. Bonds3

About N-(5-hydroxyimino-4-methylpentan-2-ylidene)hydroxylamine

N-(5-hydroxyimino-4-methylpentan-2-ylidene)hydroxylamine (PubChem CID 131888564) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N-(5-hydroxyimino-4-methylpentan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(5-hydroxyimino-4-methylpentan-2-ylidene)hydroxylamine
PubChem CID131888564
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN-(5-hydroxyimino-4-methylpentan-2-ylidene)hydroxylamine
SMILESCC(CC(C)C=NO)=NO
InChIInChI=1S/C6H12N2O2/c1-5(4-7-9)3-6(2)8-10/h4-5,9-10H,3H2,1-2H3
InChIKeyHHCUYEDRCUXKAI-UHFFFAOYSA-N
XLogP1.32
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.32
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxyimino-4-methylpentan-2-ylidene)hydroxylamine?
The IUPAC name of N-(5-hydroxyimino-4-methylpentan-2-ylidene)hydroxylamine (CID 131888564) is N-(5-hydroxyimino-4-methylpentan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(5-hydroxyimino-4-methylpentan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(5-hydroxyimino-4-methylpentan-2-ylidene)hydroxylamine is CC(CC(C)C=NO)=NO.
What is the InChIKey of N-(5-hydroxyimino-4-methylpentan-2-ylidene)hydroxylamine?
The InChIKey is HHCUYEDRCUXKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-5(4-7-9)3-6(2)8-10/h4-5,9-10H,3H2,1-2H3.
What are the key properties of N-(5-hydroxyimino-4-methylpentan-2-ylidene)hydroxylamine?
N-(5-hydroxyimino-4-methylpentan-2-ylidene)hydroxylamine has a molecular weight of 144.17 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxyimino-4-methylpentan-2-ylidene)hydroxylamine is sourced from PubChem (CID 131888564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).