N-[(4-formylphenyl)methyl]nitrous amide

C8H8N2O2 — CID 172967513

IUPACN-[(4-formylphenyl)methyl]nitrous amide
SMILESO=Cc1ccc(CNN=O)cc1
InChIInChI=1S/C8H8N2O2/c11-6-8-3-1-7(2-4-8)5-9-10-12/h1-4,6H,5H2,(H,9,12)
InChIKeyCWXWDUXGKDHWLR-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.27
Rot. Bonds4

About N-[(4-formylphenyl)methyl]nitrous amide

N-[(4-formylphenyl)methyl]nitrous amide (PubChem CID 172967513) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is N-[(4-formylphenyl)methyl]nitrous amide.

Molecular Properties

Compound NameN-[(4-formylphenyl)methyl]nitrous amide
PubChem CID172967513
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC NameN-[(4-formylphenyl)methyl]nitrous amide
SMILESO=Cc1ccc(CNN=O)cc1
InChIInChI=1S/C8H8N2O2/c11-6-8-3-1-7(2-4-8)5-9-10-12/h1-4,6H,5H2,(H,9,12)
InChIKeyCWXWDUXGKDHWLR-UHFFFAOYSA-N
XLogP1.27
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.27
H-Bond Donors ≤ 51
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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Related Compounds

4-(ethylaminomethyl)benzaldehyde
CID 87956656
4-[(4-methylphenyl)methylamino]benzaldehyde
CID 89270360
4-(3-oxopropyl)benzaldehyde
CID 12927813
[4-[(4-formylanilino)methyl]phenyl]boronic acid
CID 125469680
3-[(4-formylphenyl)methylamino]propanenitrile
CID 86109958
4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
CID 157111710
4-[6-(4-formylphenyl)hexyl]benzaldehyde
CID 174975156
2-cyano-N-[(4-formylphenyl)methyl]acetamide
CID 88911411
benzene;terephthalaldehyde
CID 163498156
4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde
CID 134293937
4-(azidomethyl)benzaldehyde
CID 57444853
3-(4-formylphenyl)propanamide
CID 66485595

Frequently Asked Questions

What is the IUPAC name of N-[(4-formylphenyl)methyl]nitrous amide?
The IUPAC name of N-[(4-formylphenyl)methyl]nitrous amide (CID 172967513) is N-[(4-formylphenyl)methyl]nitrous amide.
What is the SMILES notation for N-[(4-formylphenyl)methyl]nitrous amide?
The canonical SMILES for N-[(4-formylphenyl)methyl]nitrous amide is O=Cc1ccc(CNN=O)cc1.
What is the InChIKey of N-[(4-formylphenyl)methyl]nitrous amide?
The InChIKey is CWXWDUXGKDHWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-6-8-3-1-7(2-4-8)5-9-10-12/h1-4,6H,5H2,(H,9,12).
What are the key properties of N-[(4-formylphenyl)methyl]nitrous amide?
N-[(4-formylphenyl)methyl]nitrous amide has a molecular weight of 164.16 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-formylphenyl)methyl]nitrous amide is sourced from PubChem (CID 172967513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).