(3E,4Z)-5-(1,2-dihydroxyethyl)-3-hydrazinylidene-4-hydroxyiminooxolan-2-one

C6H9N3O5 — CID 144865736

IUPAC(3E,4Z)-5-(1,2-dihydroxyethyl)-3-hydrazinylidene-4-hydroxyiminooxolan-2-one
SMILESN/N=C1/C(=O)OC(C(O)CO)/C1=N\O
InChIInChI=1S/C6H9N3O5/c7-8-4-3(9-13)5(2(11)1-10)14-6(4)12/h2,5,10-11,13H,1,7H2/b8-4+,9-3-
InChIKeyMSNPPBUAFGXUGB-BTFXIVTBSA-N
MW203.15 g/mol
LogP-2.59
Rot. Bonds2

About (3E,4Z)-5-(1,2-dihydroxyethyl)-3-hydrazinylidene-4-hydroxyiminooxolan-2-one

(3E,4Z)-5-(1,2-dihydroxyethyl)-3-hydrazinylidene-4-hydroxyiminooxolan-2-one (PubChem CID 144865736) has the molecular formula C6H9N3O5 and a molecular weight of 203.15 g/mol. Its IUPAC name is (3E,4Z)-5-(1,2-dihydroxyethyl)-3-hydrazinylidene-4-hydroxyiminooxolan-2-one.

Molecular Properties

Compound Name(3E,4Z)-5-(1,2-dihydroxyethyl)-3-hydrazinylidene-4-hydroxyiminooxolan-2-one
PubChem CID144865736
Molecular FormulaC6H9N3O5
Molecular Weight203.15 g/mol
Exact Mass203.05
IUPAC Name(3E,4Z)-5-(1,2-dihydroxyethyl)-3-hydrazinylidene-4-hydroxyiminooxolan-2-one
SMILESN/N=C1/C(=O)OC(C(O)CO)/C1=N\O
InChIInChI=1S/C6H9N3O5/c7-8-4-3(9-13)5(2(11)1-10)14-6(4)12/h2,5,10-11,13H,1,7H2/b8-4+,9-3-
InChIKeyMSNPPBUAFGXUGB-BTFXIVTBSA-N
XLogP-2.59
TPSA137.73 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 5-2.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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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Related Compounds

(5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyiminooxolane-2,3-dione
CID 174087762
5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one
CID 3810559
(3E,4E,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-bis(phenylhydrazinylidene)oxolan-2-one
CID 51562676
(3E,4E,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-bis(phenylhydrazinylidene)oxolan-2-one
CID 51562675
2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 176549717
(5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione;dihydrate
CID 90117374
azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54713594
CID 175868978
CID 175868978
sodium (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54719295
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;sulfuric acid
CID 66675533
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-(2,3-dihydroxypropanoyloxy)-5-oxo-2H-furan-3-yl] 2,3-dihydroxypropanoate
CID 141231104
CID 68731933
CID 68731933

Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-5-(1,2-dihydroxyethyl)-3-hydrazinylidene-4-hydroxyiminooxolan-2-one?
The IUPAC name of (3E,4Z)-5-(1,2-dihydroxyethyl)-3-hydrazinylidene-4-hydroxyiminooxolan-2-one (CID 144865736) is (3E,4Z)-5-(1,2-dihydroxyethyl)-3-hydrazinylidene-4-hydroxyiminooxolan-2-one.
What is the SMILES notation for (3E,4Z)-5-(1,2-dihydroxyethyl)-3-hydrazinylidene-4-hydroxyiminooxolan-2-one?
The canonical SMILES for (3E,4Z)-5-(1,2-dihydroxyethyl)-3-hydrazinylidene-4-hydroxyiminooxolan-2-one is N/N=C1/C(=O)OC(C(O)CO)/C1=N\O.
What is the InChIKey of (3E,4Z)-5-(1,2-dihydroxyethyl)-3-hydrazinylidene-4-hydroxyiminooxolan-2-one?
The InChIKey is MSNPPBUAFGXUGB-BTFXIVTBSA-N. The full InChI is InChI=1S/C6H9N3O5/c7-8-4-3(9-13)5(2(11)1-10)14-6(4)12/h2,5,10-11,13H,1,7H2/b8-4+,9-3-.
What are the key properties of (3E,4Z)-5-(1,2-dihydroxyethyl)-3-hydrazinylidene-4-hydroxyiminooxolan-2-one?
(3E,4Z)-5-(1,2-dihydroxyethyl)-3-hydrazinylidene-4-hydroxyiminooxolan-2-one has a molecular weight of 203.15 g/mol, XLogP of -2.59, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-5-(1,2-dihydroxyethyl)-3-hydrazinylidene-4-hydroxyiminooxolan-2-one is sourced from PubChem (CID 144865736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).