2-[(2R)-1-(azetidin-3-ylidene)propan-2-yl]isoindole-1,3-dione

C14H14N2O2 — CID 175377766

IUPAC2-[(2R)-1-(azetidin-3-ylidene)propan-2-yl]isoindole-1,3-dione
SMILESC[C@H](C=C1CNC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H14N2O2/c1-9(6-10-7-15-8-10)16-13(17)11-4-2-3-5-12(11)14(16)18/h2-6,9,15H,7-8H2,1H3/t9-/m1/s1
InChIKeyHECPVDQCRFWFJK-SECBINFHSA-N
MW242.28 g/mol
LogP1.20
Rot. Bonds2

About 2-[(2R)-1-(azetidin-3-ylidene)propan-2-yl]isoindole-1,3-dione

2-[(2R)-1-(azetidin-3-ylidene)propan-2-yl]isoindole-1,3-dione (PubChem CID 175377766) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[(2R)-1-(azetidin-3-ylidene)propan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-1-(azetidin-3-ylidene)propan-2-yl]isoindole-1,3-dione
PubChem CID175377766
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-[(2R)-1-(azetidin-3-ylidene)propan-2-yl]isoindole-1,3-dione
SMILESC[C@H](C=C1CNC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H14N2O2/c1-9(6-10-7-15-8-10)16-13(17)11-4-2-3-5-12(11)14(16)18/h2-6,9,15H,7-8H2,1H3/t9-/m1/s1
InChIKeyHECPVDQCRFWFJK-SECBINFHSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.20
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'}

Analyze 2-[(2R)-1-(azetidin-3-ylidene)propan-2-yl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(azetidin-3-ylidene)propan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2R)-1-(azetidin-3-ylidene)propan-2-yl]isoindole-1,3-dione (CID 175377766) is 2-[(2R)-1-(azetidin-3-ylidene)propan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R)-1-(azetidin-3-ylidene)propan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R)-1-(azetidin-3-ylidene)propan-2-yl]isoindole-1,3-dione is C[C@H](C=C1CNC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2R)-1-(azetidin-3-ylidene)propan-2-yl]isoindole-1,3-dione?
The InChIKey is HECPVDQCRFWFJK-SECBINFHSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9(6-10-7-15-8-10)16-13(17)11-4-2-3-5-12(11)14(16)18/h2-6,9,15H,7-8H2,1H3/t9-/m1/s1.
What are the key properties of 2-[(2R)-1-(azetidin-3-ylidene)propan-2-yl]isoindole-1,3-dione?
2-[(2R)-1-(azetidin-3-ylidene)propan-2-yl]isoindole-1,3-dione has a molecular weight of 242.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(azetidin-3-ylidene)propan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 175377766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).