N-(4-formylphenyl)-N-methylnitrous amide

C8H8N2O2 — CID 13238367

IUPACN-(4-formylphenyl)-N-methylnitrous amide
SMILESCN(N=O)c1ccc(C=O)cc1
InChIInChI=1S/C8H8N2O2/c1-10(9-12)8-4-2-7(6-11)3-5-8/h2-6H,1H3
InChIKeyMFPNZVRAGLEUPZ-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.62
Rot. Bonds3

About N-(4-formylphenyl)-N-methylnitrous amide

N-(4-formylphenyl)-N-methylnitrous amide (PubChem CID 13238367) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is N-(4-formylphenyl)-N-methylnitrous amide.

Molecular Properties

Compound NameN-(4-formylphenyl)-N-methylnitrous amide
PubChem CID13238367
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC NameN-(4-formylphenyl)-N-methylnitrous amide
SMILESCN(N=O)c1ccc(C=O)cc1
InChIInChI=1S/C8H8N2O2/c1-10(9-12)8-4-2-7(6-11)3-5-8/h2-6H,1H3
InChIKeyMFPNZVRAGLEUPZ-UHFFFAOYSA-N
XLogP1.62
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 N-(4-formylphenyl)-N-methylnitrous amide?
The IUPAC name of N-(4-formylphenyl)-N-methylnitrous amide (CID 13238367) is N-(4-formylphenyl)-N-methylnitrous amide.
What is the SMILES notation for N-(4-formylphenyl)-N-methylnitrous amide?
The canonical SMILES for N-(4-formylphenyl)-N-methylnitrous amide is CN(N=O)c1ccc(C=O)cc1.
What is the InChIKey of N-(4-formylphenyl)-N-methylnitrous amide?
The InChIKey is MFPNZVRAGLEUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-10(9-12)8-4-2-7(6-11)3-5-8/h2-6H,1H3.
What are the key properties of N-(4-formylphenyl)-N-methylnitrous amide?
N-(4-formylphenyl)-N-methylnitrous amide has a molecular weight of 164.16 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)-N-methylnitrous amide is sourced from PubChem (CID 13238367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).