2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride

C14H15ClN2O2 — CID 68525150

IUPAC2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride
SMILESCC(CN1C(=O)c2ccccc2C1=O)=C1CNC1.Cl
InChIInChI=1S/C14H14N2O2.ClH/c1-9(10-6-15-7-10)8-16-13(17)11-4-2-3-5-12(11)14(16)18;/h2-5,15H,6-8H2,1H3;1H
InChIKeyQGGMNOFATFSNLJ-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.62
Rot. Bonds2

About 2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride

2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride (PubChem CID 68525150) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride
PubChem CID68525150
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride
SMILESCC(CN1C(=O)c2ccccc2C1=O)=C1CNC1.Cl
InChIInChI=1S/C14H14N2O2.ClH/c1-9(10-6-15-7-10)8-16-13(17)11-4-2-3-5-12(11)14(16)18;/h2-5,15H,6-8H2,1H3;1H
InChIKeyQGGMNOFATFSNLJ-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(azetidin-3-ylidene)butyl]isoindole-1,3-dione
CID 175288610
2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine
CID 21152099
carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten
CID 158979735
2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione
CID 138523801
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
2-(2-fluoro-4-hydroxy-3-methylbut-2-enyl)isoindole-1,3-dione
CID 158516892
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448
2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502774
2-(3-iodo-2-oxopropyl)isoindole-1,3-dione
CID 71756469
2-[2-(4-methylphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 11987559
CID 89001627
CID 89001627

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride (CID 68525150) is 2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride is CC(CN1C(=O)c2ccccc2C1=O)=C1CNC1.Cl.
What is the InChIKey of 2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride?
The InChIKey is QGGMNOFATFSNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2.ClH/c1-9(10-6-15-7-10)8-16-13(17)11-4-2-3-5-12(11)14(16)18;/h2-5,15H,6-8H2,1H3;1H.
What are the key properties of 2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride?
2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride has a molecular weight of 278.74 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 68525150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).