5-(dimethylamino)-2-nitrosobenzaldehyde

C9H10N2O2 — CID 5235856

IUPAC5-(dimethylamino)-2-nitrosobenzaldehyde
SMILESCN(C)c1ccc(N=O)c(C=O)c1
InChIInChI=1S/C9H10N2O2/c1-11(2)8-3-4-9(10-13)7(5-8)6-12/h3-6H,1-2H3
InChIKeyNMHUSOZQBJFXLI-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.96
Rot. Bonds3

About 5-(dimethylamino)-2-nitrosobenzaldehyde

5-(dimethylamino)-2-nitrosobenzaldehyde (PubChem CID 5235856) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-(dimethylamino)-2-nitrosobenzaldehyde.

Molecular Properties

Compound Name5-(dimethylamino)-2-nitrosobenzaldehyde
PubChem CID5235856
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name5-(dimethylamino)-2-nitrosobenzaldehyde
SMILESCN(C)c1ccc(N=O)c(C=O)c1
InChIInChI=1S/C9H10N2O2/c1-11(2)8-3-4-9(10-13)7(5-8)6-12/h3-6H,1-2H3
InChIKeyNMHUSOZQBJFXLI-UHFFFAOYSA-N
XLogP1.96
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-nitrosobenzaldehyde?
The IUPAC name of 5-(dimethylamino)-2-nitrosobenzaldehyde (CID 5235856) is 5-(dimethylamino)-2-nitrosobenzaldehyde.
What is the SMILES notation for 5-(dimethylamino)-2-nitrosobenzaldehyde?
The canonical SMILES for 5-(dimethylamino)-2-nitrosobenzaldehyde is CN(C)c1ccc(N=O)c(C=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-nitrosobenzaldehyde?
The InChIKey is NMHUSOZQBJFXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-11(2)8-3-4-9(10-13)7(5-8)6-12/h3-6H,1-2H3.
What are the key properties of 5-(dimethylamino)-2-nitrosobenzaldehyde?
5-(dimethylamino)-2-nitrosobenzaldehyde has a molecular weight of 178.19 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-nitrosobenzaldehyde is sourced from PubChem (CID 5235856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).