N-(2-hydroxyimino-4-methylcyclohexylidene)hydroxylamine

C7H12N2O2 — CID 135432349

IUPACN-(2-hydroxyimino-4-methylcyclohexylidene)hydroxylamine
SMILESCC1CCC(=NO)C(=NO)C1
InChIInChI=1S/C7H12N2O2/c1-5-2-3-6(8-10)7(4-5)9-11/h5,10-11H,2-4H2,1H3
InChIKeyKQGMPJHDAPHKNY-UHFFFAOYSA-N
MW156.19 g/mol
LogP1.47
Rot. Bonds

About N-(2-hydroxyimino-4-methylcyclohexylidene)hydroxylamine

N-(2-hydroxyimino-4-methylcyclohexylidene)hydroxylamine (PubChem CID 135432349) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is N-(2-hydroxyimino-4-methylcyclohexylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-hydroxyimino-4-methylcyclohexylidene)hydroxylamine
PubChem CID135432349
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC NameN-(2-hydroxyimino-4-methylcyclohexylidene)hydroxylamine
SMILESCC1CCC(=NO)C(=NO)C1
InChIInChI=1S/C7H12N2O2/c1-5-2-3-6(8-10)7(4-5)9-11/h5,10-11H,2-4H2,1H3
InChIKeyKQGMPJHDAPHKNY-UHFFFAOYSA-N
XLogP1.47
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxyimino-4-methylcyclohexylidene)hydroxylamine?
The IUPAC name of N-(2-hydroxyimino-4-methylcyclohexylidene)hydroxylamine (CID 135432349) is N-(2-hydroxyimino-4-methylcyclohexylidene)hydroxylamine.
What is the SMILES notation for N-(2-hydroxyimino-4-methylcyclohexylidene)hydroxylamine?
The canonical SMILES for N-(2-hydroxyimino-4-methylcyclohexylidene)hydroxylamine is CC1CCC(=NO)C(=NO)C1.
What is the InChIKey of N-(2-hydroxyimino-4-methylcyclohexylidene)hydroxylamine?
The InChIKey is KQGMPJHDAPHKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5-2-3-6(8-10)7(4-5)9-11/h5,10-11H,2-4H2,1H3.
What are the key properties of N-(2-hydroxyimino-4-methylcyclohexylidene)hydroxylamine?
N-(2-hydroxyimino-4-methylcyclohexylidene)hydroxylamine has a molecular weight of 156.19 g/mol, XLogP of 1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyimino-4-methylcyclohexylidene)hydroxylamine is sourced from PubChem (CID 135432349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).