N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine

C9H10N4O2 — CID 137198938

IUPACN-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine
SMILESON=CC(C=NO)=NNc1ccccc1
InChIInChI=1S/C9H10N4O2/c14-10-6-9(7-11-15)13-12-8-4-2-1-3-5-8/h1-7,12,14-15H
InChIKeyGLLXEPRJNSLUNP-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.37
Rot. Bonds4

About N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine

N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine (PubChem CID 137198938) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine
PubChem CID137198938
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC NameN-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine
SMILESON=CC(C=NO)=NNc1ccccc1
InChIInChI=1S/C9H10N4O2/c14-10-6-9(7-11-15)13-12-8-4-2-1-3-5-8/h1-7,12,14-15H
InChIKeyGLLXEPRJNSLUNP-UHFFFAOYSA-N
XLogP1.37
TPSA89.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

(2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal
CID 137266431
2,3-bis(phenylhydrazinylidene)propanal
CID 6399152
(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
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
[(E)-[(2E,3E)-2-[(2-chlorophenyl)hydrazinylidene]-3-hydroxyiminopropylidene]amino] acetate
CID 135697323
1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one
CID 135539246
CID 154709621
CID 154709621

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine?
The IUPAC name of N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine (CID 137198938) is N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine.
What is the SMILES notation for N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine?
The canonical SMILES for N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine is ON=CC(C=NO)=NNc1ccccc1.
What is the InChIKey of N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine?
The InChIKey is GLLXEPRJNSLUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c14-10-6-9(7-11-15)13-12-8-4-2-1-3-5-8/h1-7,12,14-15H.
What are the key properties of N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine?
N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine has a molecular weight of 206.21 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine is sourced from PubChem (CID 137198938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).