4-formyl-3-nitrosobenzamide

C8H6N2O3 — CID 122605736

IUPAC4-formyl-3-nitrosobenzamide
SMILESNC(=O)c1ccc(C=O)c(N=O)c1
InChIInChI=1S/C8H6N2O3/c9-8(12)5-1-2-6(4-11)7(3-5)10-13/h1-4H,(H2,9,12)
InChIKeyJMLUBKKAUOISCX-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.00
Rot. Bonds3

About 4-formyl-3-nitrosobenzamide

4-formyl-3-nitrosobenzamide (PubChem CID 122605736) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 4-formyl-3-nitrosobenzamide.

Molecular Properties

Compound Name4-formyl-3-nitrosobenzamide
PubChem CID122605736
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name4-formyl-3-nitrosobenzamide
SMILESNC(=O)c1ccc(C=O)c(N=O)c1
InChIInChI=1S/C8H6N2O3/c9-8(12)5-1-2-6(4-11)7(3-5)10-13/h1-4H,(H2,9,12)
InChIKeyJMLUBKKAUOISCX-UHFFFAOYSA-N
XLogP1.00
TPSA89.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-4-formylbenzamide
CID 123649446
3-formyl-4-methoxybenzamide
CID 23141386
N-[amino-(3-fluoro-4-formylphenyl)methylidene]-4-methyl-3-nitrosobenzamide
CID 143783845
3-formyl-4-(trifluoromethoxy)benzamide
CID 170998150
4-(diaminomethylideneamino)-3-formylbenzoic acid
CID 141046740
4-ethenyl-3-fluorobenzamide
CID 154814877
sodium;4-hydroxy-2-nitrosobenzaldehyde;bis(4-hydroxy-3-nitrosobenzaldehyde);iron
CID 90473210
3-N-silylidenebenzene-1,3-dicarboxamide
CID 151843827
2,1,3-benzoxadiazole-5-carboxamide
CID 22335030
4-formylbenzamide;methanamine
CID 144619239
1,2,3-benzoxadiazole-6-carboxamide
CID 151372469
3-formylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 25171438

Frequently Asked Questions

What is the IUPAC name of 4-formyl-3-nitrosobenzamide?
The IUPAC name of 4-formyl-3-nitrosobenzamide (CID 122605736) is 4-formyl-3-nitrosobenzamide.
What is the SMILES notation for 4-formyl-3-nitrosobenzamide?
The canonical SMILES for 4-formyl-3-nitrosobenzamide is NC(=O)c1ccc(C=O)c(N=O)c1.
What is the InChIKey of 4-formyl-3-nitrosobenzamide?
The InChIKey is JMLUBKKAUOISCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c9-8(12)5-1-2-6(4-11)7(3-5)10-13/h1-4H,(H2,9,12).
What are the key properties of 4-formyl-3-nitrosobenzamide?
4-formyl-3-nitrosobenzamide has a molecular weight of 178.15 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-3-nitrosobenzamide is sourced from PubChem (CID 122605736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).