(NE)-N-[(2E)-2-hydroxyimino-4-methylcyclohexylidene]hydroxylamine

C7H12N2O2 — CID 135527135

IUPAC(NE)-N-[(2E)-2-hydroxyimino-4-methylcyclohexylidene]hydroxylamine
SMILESCC1CCC(=N\O)/C(=N/O)C1
InChIInChI=1S/C7H12N2O2/c1-5-2-3-6(8-10)7(4-5)9-11/h5,10-11H,2-4H2,1H3/b8-6+,9-7+
InChIKeyKQGMPJHDAPHKNY-CDJQDVQCSA-N
MW156.19 g/mol
LogP1.47
Rot. Bonds

About (NE)-N-[(2E)-2-hydroxyimino-4-methylcyclohexylidene]hydroxylamine

(NE)-N-[(2E)-2-hydroxyimino-4-methylcyclohexylidene]hydroxylamine (PubChem CID 135527135) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is (NE)-N-[(2E)-2-hydroxyimino-4-methylcyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2E)-2-hydroxyimino-4-methylcyclohexylidene]hydroxylamine
PubChem CID135527135
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name(NE)-N-[(2E)-2-hydroxyimino-4-methylcyclohexylidene]hydroxylamine
SMILESCC1CCC(=N\O)/C(=N/O)C1
InChIInChI=1S/C7H12N2O2/c1-5-2-3-6(8-10)7(4-5)9-11/h5,10-11H,2-4H2,1H3/b8-6+,9-7+
InChIKeyKQGMPJHDAPHKNY-CDJQDVQCSA-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 (NE)-N-[(2E)-2-hydroxyimino-4-methylcyclohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2E)-2-hydroxyimino-4-methylcyclohexylidene]hydroxylamine (CID 135527135) is (NE)-N-[(2E)-2-hydroxyimino-4-methylcyclohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2E)-2-hydroxyimino-4-methylcyclohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2E)-2-hydroxyimino-4-methylcyclohexylidene]hydroxylamine is CC1CCC(=N\O)/C(=N/O)C1.
What is the InChIKey of (NE)-N-[(2E)-2-hydroxyimino-4-methylcyclohexylidene]hydroxylamine?
The InChIKey is KQGMPJHDAPHKNY-CDJQDVQCSA-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/b8-6+,9-7+.
What are the key properties of (NE)-N-[(2E)-2-hydroxyimino-4-methylcyclohexylidene]hydroxylamine?
(NE)-N-[(2E)-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 (NE)-N-[(2E)-2-hydroxyimino-4-methylcyclohexylidene]hydroxylamine is sourced from PubChem (CID 135527135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).