(NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine

C6H10N2O2 — CID 137315895

IUPAC(NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine
SMILESCC(/C=C/C(C)=N/O)=N\O
InChIInChI=1S/C6H10N2O2/c1-5(7-9)3-4-6(2)8-10/h3-4,9-10H,1-2H3/b4-3+,7-5+,8-6+
InChIKeyNFUVCWPAESVLQE-OKWWDJPNSA-N
MW142.16 g/mol
LogP1.24
Rot. Bonds2

About (NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine

(NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine (PubChem CID 137315895) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine
PubChem CID137315895
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine
SMILESCC(/C=C/C(C)=N/O)=N\O
InChIInChI=1S/C6H10N2O2/c1-5(7-9)3-4-6(2)8-10/h3-4,9-10H,1-2H3/b4-3+,7-5+,8-6+
InChIKeyNFUVCWPAESVLQE-OKWWDJPNSA-N
XLogP1.24
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 51.24
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'}

Analyze (NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine (CID 137315895) is (NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine is CC(/C=C/C(C)=N/O)=N\O.
What is the InChIKey of (NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine?
The InChIKey is NFUVCWPAESVLQE-OKWWDJPNSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-5(7-9)3-4-6(2)8-10/h3-4,9-10H,1-2H3/b4-3+,7-5+,8-6+.
What are the key properties of (NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine?
(NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine has a molecular weight of 142.16 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 137315895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).