(3E)-3-pyridin-2-yliminoisoindol-1-one

C13H9N3O — CID 177451403

IUPAC(3E)-3-pyridin-2-yliminoisoindol-1-one
SMILESO=C1N/C(=N/c2ccccn2)c2ccccc21
InChIInChI=1S/C13H9N3O/c17-13-10-6-2-1-5-9(10)12(16-13)15-11-7-3-4-8-14-11/h1-8H,(H,14,15,16,17)
InChIKeyOGXXTFSNJNWNLP-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.90
Rot. Bonds1

About (3E)-3-pyridin-2-yliminoisoindol-1-one

(3E)-3-pyridin-2-yliminoisoindol-1-one (PubChem CID 177451403) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is (3E)-3-pyridin-2-yliminoisoindol-1-one.

Molecular Properties

Compound Name(3E)-3-pyridin-2-yliminoisoindol-1-one
PubChem CID177451403
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name(3E)-3-pyridin-2-yliminoisoindol-1-one
SMILESO=C1N/C(=N/c2ccccn2)c2ccccc21
InChIInChI=1S/C13H9N3O/c17-13-10-6-2-1-5-9(10)12(16-13)15-11-7-3-4-8-14-11/h1-8H,(H,14,15,16,17)
InChIKeyOGXXTFSNJNWNLP-UHFFFAOYSA-N
XLogP1.90
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-[[6-[6-[(Z)-(3-oxoisoindol-1-ylidene)amino]-2-pyridinyl]-2-pyridinyl]imino]isoindol-1-one
CID 135961578
3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one
CID 135996475
3-(4-methylphenyl)iminoisoindol-1-one
CID 135932532
3-[2-(hydroxymethyl)phenyl]iminoisoindol-1-one
CID 137288254
isoindole-1,3-dione;phosphane
CID 89428738
lithium isoindole-1,3-dione
CID 18764300
CID 158403573
CID 158403573
hydron;isoindole-1,3-dione
CID 174301362
dipotassium;hydride;isoindole-1,3-dione
CID 173033461
CID 157233017
CID 157233017
bromomethane;isoindole-1,3-dione
CID 158684384
dipyridin-2-yldiazene;osmium
CID 173074203

Frequently Asked Questions

What is the IUPAC name of (3E)-3-pyridin-2-yliminoisoindol-1-one?
The IUPAC name of (3E)-3-pyridin-2-yliminoisoindol-1-one (CID 177451403) is (3E)-3-pyridin-2-yliminoisoindol-1-one.
What is the SMILES notation for (3E)-3-pyridin-2-yliminoisoindol-1-one?
The canonical SMILES for (3E)-3-pyridin-2-yliminoisoindol-1-one is O=C1N/C(=N/c2ccccn2)c2ccccc21.
What is the InChIKey of (3E)-3-pyridin-2-yliminoisoindol-1-one?
The InChIKey is OGXXTFSNJNWNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c17-13-10-6-2-1-5-9(10)12(16-13)15-11-7-3-4-8-14-11/h1-8H,(H,14,15,16,17).
What are the key properties of (3E)-3-pyridin-2-yliminoisoindol-1-one?
(3E)-3-pyridin-2-yliminoisoindol-1-one has a molecular weight of 223.24 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-pyridin-2-yliminoisoindol-1-one is sourced from PubChem (CID 177451403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).