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

C6H9N3O3 — CID 135531979

IUPACN-[2,3-bis(hydroxyimino)cyclohexylidene]hydroxylamine
SMILESON=C1CCCC(=NO)C1=NO
InChIInChI=1S/C6H9N3O3/c10-7-4-2-1-3-5(8-11)6(4)9-12/h10-12H,1-3H2
InChIKeyGKXJWSZPLIKUPS-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.66
Rot. Bonds

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

N-[2,3-bis(hydroxyimino)cyclohexylidene]hydroxylamine (PubChem CID 135531979) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is N-[2,3-bis(hydroxyimino)cyclohexylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2,3-bis(hydroxyimino)cyclohexylidene]hydroxylamine
PubChem CID135531979
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC NameN-[2,3-bis(hydroxyimino)cyclohexylidene]hydroxylamine
SMILESON=C1CCCC(=NO)C1=NO
InChIInChI=1S/C6H9N3O3/c10-7-4-2-1-3-5(8-11)6(4)9-12/h10-12H,1-3H2
InChIKeyGKXJWSZPLIKUPS-UHFFFAOYSA-N
XLogP0.66
TPSA97.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.66
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)cyclohexylidene]hydroxylamine?
The IUPAC name of N-[2,3-bis(hydroxyimino)cyclohexylidene]hydroxylamine (CID 135531979) is N-[2,3-bis(hydroxyimino)cyclohexylidene]hydroxylamine.
What is the SMILES notation for N-[2,3-bis(hydroxyimino)cyclohexylidene]hydroxylamine?
The canonical SMILES for N-[2,3-bis(hydroxyimino)cyclohexylidene]hydroxylamine is ON=C1CCCC(=NO)C1=NO.
What is the InChIKey of N-[2,3-bis(hydroxyimino)cyclohexylidene]hydroxylamine?
The InChIKey is GKXJWSZPLIKUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c10-7-4-2-1-3-5(8-11)6(4)9-12/h10-12H,1-3H2.
What are the key properties of N-[2,3-bis(hydroxyimino)cyclohexylidene]hydroxylamine?
N-[2,3-bis(hydroxyimino)cyclohexylidene]hydroxylamine has a molecular weight of 171.16 g/mol, XLogP of 0.66, 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)cyclohexylidene]hydroxylamine is sourced from PubChem (CID 135531979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).