(2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal

C9H9N3O2 — CID 137266431

IUPAC(2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal
SMILESO=CC(/C=N\O)=N\Nc1ccccc1
InChIInChI=1S/C9H9N3O2/c13-7-9(6-10-14)12-11-8-4-2-1-3-5-8/h1-7,11,14H/b10-6-,12-9-
InChIKeyVYSJQEJPDSLNJP-LQBUGXQISA-N
MW191.19 g/mol
LogP1.11
Rot. Bonds4

About (2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal

(2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal (PubChem CID 137266431) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal.

Molecular Properties

Compound Name(2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal
PubChem CID137266431
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal
SMILESO=CC(/C=N\O)=N\Nc1ccccc1
InChIInChI=1S/C9H9N3O2/c13-7-9(6-10-14)12-11-8-4-2-1-3-5-8/h1-7,11,14H/b10-6-,12-9-
InChIKeyVYSJQEJPDSLNJP-LQBUGXQISA-N
XLogP1.11
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

2,3-bis(phenylhydrazinylidene)propanal
CID 6399152
N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine
CID 137198938
(2E)-N'-anilino-2-(phenylhydrazinylidene)ethanimidamide
CID 15309595
(1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride
CID 134879796
N-[2-(phenylhydrazinylidene)ethylidene]hydroxylamine
CID 137223545
2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone
CID 2749285
1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one
CID 135539246
1-N'-anilino-2-N'-hydroxyethanediimidamide
CID 135408234
(2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol
CID 72710757
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
(2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one
CID 5370271

Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal?
The IUPAC name of (2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal (CID 137266431) is (2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal.
What is the SMILES notation for (2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal?
The canonical SMILES for (2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal is O=CC(/C=N\O)=N\Nc1ccccc1.
What is the InChIKey of (2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal?
The InChIKey is VYSJQEJPDSLNJP-LQBUGXQISA-N. The full InChI is InChI=1S/C9H9N3O2/c13-7-9(6-10-14)12-11-8-4-2-1-3-5-8/h1-7,11,14H/b10-6-,12-9-.
What are the key properties of (2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal?
(2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal has a molecular weight of 191.19 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal is sourced from PubChem (CID 137266431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).