4-[1-(hydroxyamino)ethylideneamino]benzamide

C9H11N3O2 — CID 19022969

IUPAC4-[1-(hydroxyamino)ethylideneamino]benzamide
SMILESC/C(=N\c1ccc(C(N)=O)cc1)NO
InChIInChI=1S/C9H11N3O2/c1-6(12-14)11-8-4-2-7(3-5-8)9(10)13/h2-5,14H,1H3,(H2,10,13)(H,11,12)
InChIKeyUXUIDKDLUCJJKX-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.81
Rot. Bonds2

About 4-[1-(hydroxyamino)ethylideneamino]benzamide

4-[1-(hydroxyamino)ethylideneamino]benzamide (PubChem CID 19022969) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-[1-(hydroxyamino)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-[1-(hydroxyamino)ethylideneamino]benzamide
PubChem CID19022969
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name4-[1-(hydroxyamino)ethylideneamino]benzamide
SMILESC/C(=N\c1ccc(C(N)=O)cc1)NO
InChIInChI=1S/C9H11N3O2/c1-6(12-14)11-8-4-2-7(3-5-8)9(10)13/h2-5,14H,1H3,(H2,10,13)(H,11,12)
InChIKeyUXUIDKDLUCJJKX-UHFFFAOYSA-N
XLogP0.81
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(hydroxyamino)ethylideneamino]benzamide?
The IUPAC name of 4-[1-(hydroxyamino)ethylideneamino]benzamide (CID 19022969) is 4-[1-(hydroxyamino)ethylideneamino]benzamide.
What is the SMILES notation for 4-[1-(hydroxyamino)ethylideneamino]benzamide?
The canonical SMILES for 4-[1-(hydroxyamino)ethylideneamino]benzamide is C/C(=N\c1ccc(C(N)=O)cc1)NO.
What is the InChIKey of 4-[1-(hydroxyamino)ethylideneamino]benzamide?
The InChIKey is UXUIDKDLUCJJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6(12-14)11-8-4-2-7(3-5-8)9(10)13/h2-5,14H,1H3,(H2,10,13)(H,11,12).
What are the key properties of 4-[1-(hydroxyamino)ethylideneamino]benzamide?
4-[1-(hydroxyamino)ethylideneamino]benzamide has a molecular weight of 193.21 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(hydroxyamino)ethylideneamino]benzamide is sourced from PubChem (CID 19022969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).