(2E,3E)-N'-hydroxy-2,3-bis(hydroxyimino)butanimidamide

C4H8N4O3 — CID 135538007

IUPAC(2E,3E)-N'-hydroxy-2,3-bis(hydroxyimino)butanimidamide
SMILESCC(=N\O)/C(=N\O)C(/N)=N\O
InChIInChI=1S/C4H8N4O3/c1-2(6-9)3(7-10)4(5)8-11/h9-11H,1H3,(H2,5,8)/b6-2+,7-3+
InChIKeyDLZXYOQCRWMQOL-YPCIICBESA-N
MW160.13 g/mol
LogP-0.59
Rot. Bonds2

About (2E,3E)-N'-hydroxy-2,3-bis(hydroxyimino)butanimidamide

(2E,3E)-N'-hydroxy-2,3-bis(hydroxyimino)butanimidamide (PubChem CID 135538007) has the molecular formula C4H8N4O3 and a molecular weight of 160.13 g/mol. Its IUPAC name is (2E,3E)-N'-hydroxy-2,3-bis(hydroxyimino)butanimidamide.

Molecular Properties

Compound Name(2E,3E)-N'-hydroxy-2,3-bis(hydroxyimino)butanimidamide
PubChem CID135538007
Molecular FormulaC4H8N4O3
Molecular Weight160.13 g/mol
Exact Mass160.06
IUPAC Name(2E,3E)-N'-hydroxy-2,3-bis(hydroxyimino)butanimidamide
SMILESCC(=N\O)/C(=N\O)C(/N)=N\O
InChIInChI=1S/C4H8N4O3/c1-2(6-9)3(7-10)4(5)8-11/h9-11H,1H3,(H2,5,8)/b6-2+,7-3+
InChIKeyDLZXYOQCRWMQOL-YPCIICBESA-N
XLogP-0.59
TPSA123.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
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': 'imine_2', '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 (2E,3E)-N'-hydroxy-2,3-bis(hydroxyimino)butanimidamide?
The IUPAC name of (2E,3E)-N'-hydroxy-2,3-bis(hydroxyimino)butanimidamide (CID 135538007) is (2E,3E)-N'-hydroxy-2,3-bis(hydroxyimino)butanimidamide.
What is the SMILES notation for (2E,3E)-N'-hydroxy-2,3-bis(hydroxyimino)butanimidamide?
The canonical SMILES for (2E,3E)-N'-hydroxy-2,3-bis(hydroxyimino)butanimidamide is CC(=N\O)/C(=N\O)C(/N)=N\O.
What is the InChIKey of (2E,3E)-N'-hydroxy-2,3-bis(hydroxyimino)butanimidamide?
The InChIKey is DLZXYOQCRWMQOL-YPCIICBESA-N. The full InChI is InChI=1S/C4H8N4O3/c1-2(6-9)3(7-10)4(5)8-11/h9-11H,1H3,(H2,5,8)/b6-2+,7-3+.
What are the key properties of (2E,3E)-N'-hydroxy-2,3-bis(hydroxyimino)butanimidamide?
(2E,3E)-N'-hydroxy-2,3-bis(hydroxyimino)butanimidamide has a molecular weight of 160.13 g/mol, XLogP of -0.59, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-N'-hydroxy-2,3-bis(hydroxyimino)butanimidamide is sourced from PubChem (CID 135538007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).