2-(N-aminoanilino)acetaldehyde

C8H10N2O — CID 57249994

IUPAC2-(N-aminoanilino)acetaldehyde
SMILESNN(CC=O)c1ccccc1
InChIInChI=1S/C8H10N2O/c9-10(6-7-11)8-4-2-1-3-5-8/h1-5,7H,6,9H2
InChIKeyQTHKEQBIGTYRCX-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.57
Rot. Bonds3

About 2-(N-aminoanilino)acetaldehyde

2-(N-aminoanilino)acetaldehyde (PubChem CID 57249994) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(N-aminoanilino)acetaldehyde.

Molecular Properties

Compound Name2-(N-aminoanilino)acetaldehyde
PubChem CID57249994
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-(N-aminoanilino)acetaldehyde
SMILESNN(CC=O)c1ccccc1
InChIInChI=1S/C8H10N2O/c9-10(6-7-11)8-4-2-1-3-5-8/h1-5,7H,6,9H2
InChIKeyQTHKEQBIGTYRCX-UHFFFAOYSA-N
XLogP0.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-(N-aminoanilino)acetaldehyde?
The IUPAC name of 2-(N-aminoanilino)acetaldehyde (CID 57249994) is 2-(N-aminoanilino)acetaldehyde.
What is the SMILES notation for 2-(N-aminoanilino)acetaldehyde?
The canonical SMILES for 2-(N-aminoanilino)acetaldehyde is NN(CC=O)c1ccccc1.
What is the InChIKey of 2-(N-aminoanilino)acetaldehyde?
The InChIKey is QTHKEQBIGTYRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-10(6-7-11)8-4-2-1-3-5-8/h1-5,7H,6,9H2.
What are the key properties of 2-(N-aminoanilino)acetaldehyde?
2-(N-aminoanilino)acetaldehyde has a molecular weight of 150.18 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-aminoanilino)acetaldehyde is sourced from PubChem (CID 57249994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).