N-[2,3-bis(hydroxyimino)-5-methylcyclohexylidene]hydroxylamine

C7H11N3O3 — CID 171384581

IUPACN-[2,3-bis(hydroxyimino)-5-methylcyclohexylidene]hydroxylamine
SMILESCC1CC(=NO)C(=NO)C(=NO)C1
InChIInChI=1S/C7H11N3O3/c1-4-2-5(8-11)7(10-13)6(3-4)9-12/h4,11-13H,2-3H2,1H3/b8-5?,9-6?,10-7-
InChIKeyGXFQUICZWSNYLG-ABJVDFQISA-N
MW185.18 g/mol
LogP0.91
Rot. Bonds

About N-[2,3-bis(hydroxyimino)-5-methylcyclohexylidene]hydroxylamine

N-[2,3-bis(hydroxyimino)-5-methylcyclohexylidene]hydroxylamine (PubChem CID 171384581) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is N-[2,3-bis(hydroxyimino)-5-methylcyclohexylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2,3-bis(hydroxyimino)-5-methylcyclohexylidene]hydroxylamine
PubChem CID171384581
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC NameN-[2,3-bis(hydroxyimino)-5-methylcyclohexylidene]hydroxylamine
SMILESCC1CC(=NO)C(=NO)C(=NO)C1
InChIInChI=1S/C7H11N3O3/c1-4-2-5(8-11)7(10-13)6(3-4)9-12/h4,11-13H,2-3H2,1H3/b8-5?,9-6?,10-7-
InChIKeyGXFQUICZWSNYLG-ABJVDFQISA-N
XLogP0.91
TPSA97.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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-[2,3-bis(hydroxyimino)-5-methylcyclohexylidene]hydroxylamine?
The IUPAC name of N-[2,3-bis(hydroxyimino)-5-methylcyclohexylidene]hydroxylamine (CID 171384581) is N-[2,3-bis(hydroxyimino)-5-methylcyclohexylidene]hydroxylamine.
What is the SMILES notation for N-[2,3-bis(hydroxyimino)-5-methylcyclohexylidene]hydroxylamine?
The canonical SMILES for N-[2,3-bis(hydroxyimino)-5-methylcyclohexylidene]hydroxylamine is CC1CC(=NO)C(=NO)C(=NO)C1.
What is the InChIKey of N-[2,3-bis(hydroxyimino)-5-methylcyclohexylidene]hydroxylamine?
The InChIKey is GXFQUICZWSNYLG-ABJVDFQISA-N. The full InChI is InChI=1S/C7H11N3O3/c1-4-2-5(8-11)7(10-13)6(3-4)9-12/h4,11-13H,2-3H2,1H3/b8-5?,9-6?,10-7-.
What are the key properties of N-[2,3-bis(hydroxyimino)-5-methylcyclohexylidene]hydroxylamine?
N-[2,3-bis(hydroxyimino)-5-methylcyclohexylidene]hydroxylamine has a molecular weight of 185.18 g/mol, XLogP of 0.91, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(hydroxyimino)-5-methylcyclohexylidene]hydroxylamine is sourced from PubChem (CID 171384581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).