4-nitro-N-[(E)-1-phenylpropylideneamino]aniline

C15H15N3O2 — CID 6385751

IUPAC4-nitro-N-[(E)-1-phenylpropylideneamino]aniline
SMILESCC/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C15H15N3O2/c1-2-15(12-6-4-3-5-7-12)17-16-13-8-10-14(11-9-13)18(19)20/h3-11,16H,2H2,1H3/b17-15+
InChIKeyGQDGOHVEZIYAJL-BMRADRMJSA-N
MW269.30 g/mol
LogP3.82
Rot. Bonds5

About 4-nitro-N-[(E)-1-phenylpropylideneamino]aniline

4-nitro-N-[(E)-1-phenylpropylideneamino]aniline (PubChem CID 6385751) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-nitro-N-[(E)-1-phenylpropylideneamino]aniline.

Molecular Properties

Compound Name4-nitro-N-[(E)-1-phenylpropylideneamino]aniline
PubChem CID6385751
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-nitro-N-[(E)-1-phenylpropylideneamino]aniline
SMILESCC/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C15H15N3O2/c1-2-15(12-6-4-3-5-7-12)17-16-13-8-10-14(11-9-13)18(19)20/h3-11,16H,2H2,1H3/b17-15+
InChIKeyGQDGOHVEZIYAJL-BMRADRMJSA-N
XLogP3.82
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 4-nitro-N-[(E)-1-phenylpropylideneamino]aniline?
The IUPAC name of 4-nitro-N-[(E)-1-phenylpropylideneamino]aniline (CID 6385751) is 4-nitro-N-[(E)-1-phenylpropylideneamino]aniline.
What is the SMILES notation for 4-nitro-N-[(E)-1-phenylpropylideneamino]aniline?
The canonical SMILES for 4-nitro-N-[(E)-1-phenylpropylideneamino]aniline is CC/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 4-nitro-N-[(E)-1-phenylpropylideneamino]aniline?
The InChIKey is GQDGOHVEZIYAJL-BMRADRMJSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-15(12-6-4-3-5-7-12)17-16-13-8-10-14(11-9-13)18(19)20/h3-11,16H,2H2,1H3/b17-15+.
What are the key properties of 4-nitro-N-[(E)-1-phenylpropylideneamino]aniline?
4-nitro-N-[(E)-1-phenylpropylideneamino]aniline has a molecular weight of 269.30 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(E)-1-phenylpropylideneamino]aniline is sourced from PubChem (CID 6385751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).