2-[2-(azetidin-3-ylidene)butyl]isoindole-1,3-dione

C15H16N2O2 — CID 175288610

IUPAC2-[2-(azetidin-3-ylidene)butyl]isoindole-1,3-dione
SMILESCCC(CN1C(=O)c2ccccc2C1=O)=C1CNC1
InChIInChI=1S/C15H16N2O2/c1-2-10(11-7-16-8-11)9-17-14(18)12-5-3-4-6-13(12)15(17)19/h3-6,16H,2,7-9H2,1H3
InChIKeyFSSJNNNCAFZYSG-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.59
Rot. Bonds3

About 2-[2-(azetidin-3-ylidene)butyl]isoindole-1,3-dione

2-[2-(azetidin-3-ylidene)butyl]isoindole-1,3-dione (PubChem CID 175288610) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[2-(azetidin-3-ylidene)butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(azetidin-3-ylidene)butyl]isoindole-1,3-dione
PubChem CID175288610
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[2-(azetidin-3-ylidene)butyl]isoindole-1,3-dione
SMILESCCC(CN1C(=O)c2ccccc2C1=O)=C1CNC1
InChIInChI=1S/C15H16N2O2/c1-2-10(11-7-16-8-11)9-17-14(18)12-5-3-4-6-13(12)15(17)19/h3-6,16H,2,7-9H2,1H3
InChIKeyFSSJNNNCAFZYSG-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.59
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)propyl]isoindole-1,3-dione;hydrochloride
CID 68525150
2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine
CID 21152099
carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten
CID 158979735
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
2-(ethylsulfanylmethyl)isoindole-1,3-dione
CID 13458998
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide
CID 82177104
2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione
CID 138523801
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-phenylacetamide
CID 884073
triethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 16684771
2-(3-iodo-2-oxopropyl)isoindole-1,3-dione
CID 71756469
2-[2-(4-methylphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 11987559

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-3-ylidene)butyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(azetidin-3-ylidene)butyl]isoindole-1,3-dione (CID 175288610) is 2-[2-(azetidin-3-ylidene)butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(azetidin-3-ylidene)butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(azetidin-3-ylidene)butyl]isoindole-1,3-dione is CCC(CN1C(=O)c2ccccc2C1=O)=C1CNC1.
What is the InChIKey of 2-[2-(azetidin-3-ylidene)butyl]isoindole-1,3-dione?
The InChIKey is FSSJNNNCAFZYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-10(11-7-16-8-11)9-17-14(18)12-5-3-4-6-13(12)15(17)19/h3-6,16H,2,7-9H2,1H3.
What are the key properties of 2-[2-(azetidin-3-ylidene)butyl]isoindole-1,3-dione?
2-[2-(azetidin-3-ylidene)butyl]isoindole-1,3-dione has a molecular weight of 256.31 g/mol, XLogP of 1.59, 3 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)butyl]isoindole-1,3-dione is sourced from PubChem (CID 175288610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).