5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one

C18H18N4O4 — CID 3810559

IUPAC5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one
SMILESO=C1OC(C(O)CO)C(=NNc2ccccc2)C1=NNc1ccccc1
InChIInChI=1S/C18H18N4O4/c23-11-14(24)17-15(21-19-12-7-3-1-4-8-12)16(18(25)26-17)22-20-13-9-5-2-6-10-13/h1-10,14,17,19-20,23-24H,11H2
InChIKeyICUCZGSBSNDYDE-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.20
Rot. Bonds6

About 5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one

5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one (PubChem CID 3810559) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one.

Molecular Properties

Compound Name5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one
PubChem CID3810559
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one
SMILESO=C1OC(C(O)CO)C(=NNc2ccccc2)C1=NNc1ccccc1
InChIInChI=1S/C18H18N4O4/c23-11-14(24)17-15(21-19-12-7-3-1-4-8-12)16(18(25)26-17)22-20-13-9-5-2-6-10-13/h1-10,14,17,19-20,23-24H,11H2
InChIKeyICUCZGSBSNDYDE-UHFFFAOYSA-N
XLogP1.20
TPSA115.54 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.20
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(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
(3E,4Z)-5-(1,2-dihydroxyethyl)-3-hydrazinylidene-4-hydroxyiminooxolan-2-one
CID 144865736
2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenyldiazenyl-2H-furan-5-one
CID 135399209
(2S,3Z,5E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one
CID 51055766
(2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one
CID 39355098
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
sodium (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54719295
N-[(E)-[(2R,4E)-5-imino-2-[4-[(2S,3Z,4Z)-5-imino-3,4-bis(phenylhydrazinylidene)oxolan-2-yl]phenyl]-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline
CID 125115562
N-[(E)-[(2S,4E)-5-imino-2-phenyl-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline
CID 92641131

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one?
The IUPAC name of 5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one (CID 3810559) is 5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one.
What is the SMILES notation for 5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one?
The canonical SMILES for 5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one is O=C1OC(C(O)CO)C(=NNc2ccccc2)C1=NNc1ccccc1.
What is the InChIKey of 5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one?
The InChIKey is ICUCZGSBSNDYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-11-14(24)17-15(21-19-12-7-3-1-4-8-12)16(18(25)26-17)22-20-13-9-5-2-6-10-13/h1-10,14,17,19-20,23-24H,11H2.
What are the key properties of 5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one?
5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one has a molecular weight of 354.37 g/mol, XLogP of 1.20, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one is sourced from PubChem (CID 3810559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).