2-(3-iminopropyl)isoindole-1,3-dione

C11H10N2O2 — CID 90696348

IUPAC2-(3-iminopropyl)isoindole-1,3-dione
SMILES[H]/N=C/CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H10N2O2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-6,12H,3,7H2/b12-6+
InChIKeyFAUPYLPIXIPHQF-WUXMJOGZSA-N
MW202.21 g/mol
LogP1.32
Rot. Bonds3

About 2-(3-iminopropyl)isoindole-1,3-dione

2-(3-iminopropyl)isoindole-1,3-dione (PubChem CID 90696348) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(3-iminopropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-iminopropyl)isoindole-1,3-dione
PubChem CID90696348
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-(3-iminopropyl)isoindole-1,3-dione
SMILES[H]/N=C/CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H10N2O2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-6,12H,3,7H2/b12-6+
InChIKeyFAUPYLPIXIPHQF-WUXMJOGZSA-N
XLogP1.32
TPSA61.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
4-(1,3-dioxoisoindol-2-yl)butanal;ethane
CID 145335589
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-(3-thioxanthen-9-ylidenepropyl)isoindole-1,3-dione
CID 4311357
2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]isoindole-1,3-dione
CID 166009337
2-pentadec-14-enylisoindole-1,3-dione
CID 140882474
2-[22-(1,3-dioxoisoindol-2-yl)docosa-10,12-dienyl]isoindole-1,3-dione
CID 142691970
2-[4-(5-methanimidoylthiophen-2-yl)but-3-ynyl]isoindole-1,3-dione
CID 170375521
2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethylamino]ethylamino]ethyl]isoindole-1,3-dione
CID 3090844
CID 57427465
CID 57427465

Frequently Asked Questions

What is the IUPAC name of 2-(3-iminopropyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-iminopropyl)isoindole-1,3-dione (CID 90696348) is 2-(3-iminopropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-iminopropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-iminopropyl)isoindole-1,3-dione is [H]/N=C/CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(3-iminopropyl)isoindole-1,3-dione?
The InChIKey is FAUPYLPIXIPHQF-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H10N2O2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-6,12H,3,7H2/b12-6+.
What are the key properties of 2-(3-iminopropyl)isoindole-1,3-dione?
2-(3-iminopropyl)isoindole-1,3-dione has a molecular weight of 202.21 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iminopropyl)isoindole-1,3-dione is sourced from PubChem (CID 90696348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).