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

C6H14N2O3 — CID 174673280

IUPACethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(C)=N/O.CCO
InChIInChI=1S/C4H8N2O2.C2H6O/c1-3(5-7)4(2)6-8;1-2-3/h7-8H,1-2H3;3H,2H2,1H3/b5-3+,6-4+;
InChIKeyFPYYNALBDHWLNB-WEUBHIEESA-N
MW162.19 g/mol
LogP0.69
Rot. Bonds1

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

ethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine (PubChem CID 174673280) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is ethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Nameethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
PubChem CID174673280
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Nameethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(C)=N/O.CCO
InChIInChI=1S/C4H8N2O2.C2H6O/c1-3(5-7)4(2)6-8;1-2-3/h7-8H,1-2H3;3H,2H2,1H3/b5-3+,6-4+;
InChIKeyFPYYNALBDHWLNB-WEUBHIEESA-N
XLogP0.69
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 ethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-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

Related Compounds

(NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+)
CID 135801394
(NE)-N-(3-pentyliminobutan-2-ylidene)hydroxylamine
CID 177494784
ethanol;sulfanylidenetungsten
CID 175474665
carbamic acid;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
CID 175173271
azane;ethanol;nitrous acid
CID 174524310
(NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine
CID 135897357
(NE)-N-[(3E)-1-(dimethylamino)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
CID 135513617
ethanol;phosphane
CID 159788730
ethanol;hydron
CID 174459614
ethanol;tin(2+)
CID 162004830
ethanol;stibane
CID 170920077
ethanol iodide
CID 22987629

Frequently Asked Questions

What is the IUPAC name of ethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine?
The IUPAC name of ethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine (CID 174673280) is ethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine.
What is the SMILES notation for ethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine?
The canonical SMILES for ethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine is CC(=N\O)/C(C)=N/O.CCO.
What is the InChIKey of ethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine?
The InChIKey is FPYYNALBDHWLNB-WEUBHIEESA-N. The full InChI is InChI=1S/C4H8N2O2.C2H6O/c1-3(5-7)4(2)6-8;1-2-3/h7-8H,1-2H3;3H,2H2,1H3/b5-3+,6-4+;.
What are the key properties of ethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine?
ethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine has a molecular weight of 162.19 g/mol, XLogP of 0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine is sourced from PubChem (CID 174673280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).