(NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine

C6H10N4O4 — CID 135897357

IUPAC(NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine
SMILESC/C(=N/O)C(=NO)C(=N/O)/C(C)=N\O
InChIInChI=1S/C6H10N4O4/c1-3(7-11)5(9-13)6(10-14)4(2)8-12/h11-14H,1-2H3/b7-3-,8-4-,9-5+,10-6+
InChIKeyOXXDUKPWJDYWIP-HWAKKXLNSA-N
MW202.17 g/mol
LogP0.35
Rot. Bonds3

About (NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine

(NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine (PubChem CID 135897357) has the molecular formula C6H10N4O4 and a molecular weight of 202.17 g/mol. Its IUPAC name is (NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine
PubChem CID135897357
Molecular FormulaC6H10N4O4
Molecular Weight202.17 g/mol
Exact Mass202.07
IUPAC Name(NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine
SMILESC/C(=N/O)C(=NO)C(=N/O)/C(C)=N\O
InChIInChI=1S/C6H10N4O4/c1-3(7-11)5(9-13)6(10-14)4(2)8-12/h11-14H,1-2H3/b7-3-,8-4-,9-5+,10-6+
InChIKeyOXXDUKPWJDYWIP-HWAKKXLNSA-N
XLogP0.35
TPSA130.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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'}

Analyze (NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-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-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine (CID 135897357) is (NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine is C/C(=N/O)C(=NO)C(=N/O)/C(C)=N\O.
What is the InChIKey of (NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine?
The InChIKey is OXXDUKPWJDYWIP-HWAKKXLNSA-N. The full InChI is InChI=1S/C6H10N4O4/c1-3(7-11)5(9-13)6(10-14)4(2)8-12/h11-14H,1-2H3/b7-3-,8-4-,9-5+,10-6+.
What are the key properties of (NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine?
(NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine has a molecular weight of 202.17 g/mol, XLogP of 0.35, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine is sourced from PubChem (CID 135897357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).