(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine

C4H8N2O2 — CID 135399895

IUPAC(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(C)=N/O
InChIInChI=1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h7-8H,1-2H3/b5-3+,6-4+
InChIKeyJGUQDUKBUKFFRO-GGWOSOGESA-N
MW116.12 g/mol
LogP0.69
Rot. Bonds1

About (NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine

(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine (PubChem CID 135399895) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is (NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
PubChem CID135399895
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(C)=N/O
InChIInChI=1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h7-8H,1-2H3/b5-3+,6-4+
InChIKeyJGUQDUKBUKFFRO-GGWOSOGESA-N
XLogP0.69
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.69
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-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine (CID 135399895) is (NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine is CC(=N\O)/C(C)=N/O.
What is the InChIKey of (NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine?
The InChIKey is JGUQDUKBUKFFRO-GGWOSOGESA-N. The full InChI is InChI=1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h7-8H,1-2H3/b5-3+,6-4+.
What are the key properties of (NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine?
(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine has a molecular weight of 116.12 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine is sourced from PubChem (CID 135399895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).