3-phenyliminoisoindol-1-amine

C14H11N3 — CID 705539

IUPAC3-phenyliminoisoindol-1-amine
SMILESNC1=N/C(=N\c2ccccc2)c2ccccc21
InChIInChI=1S/C14H11N3/c15-13-11-8-4-5-9-12(11)14(17-13)16-10-6-2-1-3-7-10/h1-9H,(H2,15,16,17)
InChIKeyLTBKHBIPKHIHLF-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.48
Rot. Bonds1

About 3-phenyliminoisoindol-1-amine

3-phenyliminoisoindol-1-amine (PubChem CID 705539) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-phenyliminoisoindol-1-amine.

Molecular Properties

Compound Name3-phenyliminoisoindol-1-amine
PubChem CID705539
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name3-phenyliminoisoindol-1-amine
SMILESNC1=N/C(=N\c2ccccc2)c2ccccc21
InChIInChI=1S/C14H11N3/c15-13-11-8-4-5-9-12(11)14(17-13)16-10-6-2-1-3-7-10/h1-9H,(H2,15,16,17)
InChIKeyLTBKHBIPKHIHLF-UHFFFAOYSA-N
XLogP2.48
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyliminoisoindol-1-amine?
The IUPAC name of 3-phenyliminoisoindol-1-amine (CID 705539) is 3-phenyliminoisoindol-1-amine.
What is the SMILES notation for 3-phenyliminoisoindol-1-amine?
The canonical SMILES for 3-phenyliminoisoindol-1-amine is NC1=N/C(=N\c2ccccc2)c2ccccc21.
What is the InChIKey of 3-phenyliminoisoindol-1-amine?
The InChIKey is LTBKHBIPKHIHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c15-13-11-8-4-5-9-12(11)14(17-13)16-10-6-2-1-3-7-10/h1-9H,(H2,15,16,17).
What are the key properties of 3-phenyliminoisoindol-1-amine?
3-phenyliminoisoindol-1-amine has a molecular weight of 221.26 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyliminoisoindol-1-amine is sourced from PubChem (CID 705539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).