2-[2-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]isoindole-1,3-dione

C14H12N2O3 — CID 67725361

IUPAC2-[2-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]isoindole-1,3-dione
SMILESC/C=C\N1CC(N2C(=O)c3ccccc3C2=O)C1=O
InChIInChI=1S/C14H12N2O3/c1-2-7-15-8-11(14(15)19)16-12(17)9-5-3-4-6-10(9)13(16)18/h2-7,11H,8H2,1H3/b7-2-
InChIKeyGBCPRUODAWWBLU-UQCOIBPSSA-N
MW256.26 g/mol
LogP1.03
Rot. Bonds2

About 2-[2-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]isoindole-1,3-dione

2-[2-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]isoindole-1,3-dione (PubChem CID 67725361) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[2-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]isoindole-1,3-dione
PubChem CID67725361
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-[2-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]isoindole-1,3-dione
SMILESC/C=C\N1CC(N2C(=O)c3ccccc3C2=O)C1=O
InChIInChI=1S/C14H12N2O3/c1-2-7-15-8-11(14(15)19)16-12(17)9-5-3-4-6-10(9)13(16)18/h2-7,11H,8H2,1H3/b7-2-
InChIKeyGBCPRUODAWWBLU-UQCOIBPSSA-N
XLogP1.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]isoindole-1,3-dione with MolForge

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Related Compounds

2-prop-1-enyl-3H-isoindol-1-one
CID 172846777
3-amino-1-prop-1-enylazetidin-2-one
CID 54336939
2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione
CID 135273269
2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione
CID 140931544
S-methyl (E)-2-[3-(1,3-dioxoisoindol-2-yl)-2-oxoazetidin-1-yl]-3-phenylprop-2-enethioate
CID 88679337
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
2-(2,3-dimethyl-4-oxo-1,3-thiazinan-5-yl)isoindole-1,3-dione
CID 59888060
O-methyl 2-[3-(1,3-dioxoisoindol-2-yl)-2-oxoazetidin-1-yl]-3-phenylprop-2-enethioate
CID 86736764
N-(2-oxo-1-prop-1-enylazetidin-3-yl)-2-phenylacetamide
CID 54468185
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]isoindole-1,3-dione
CID 18645244
(1,3-dioxoisoindol-2-yl)-methylcarbamic acid
CID 70639006

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[2-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]isoindole-1,3-dione (CID 67725361) is 2-[2-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]isoindole-1,3-dione is C/C=C\N1CC(N2C(=O)c3ccccc3C2=O)C1=O.
What is the InChIKey of 2-[2-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]isoindole-1,3-dione?
The InChIKey is GBCPRUODAWWBLU-UQCOIBPSSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-2-7-15-8-11(14(15)19)16-12(17)9-5-3-4-6-10(9)13(16)18/h2-7,11H,8H2,1H3/b7-2-.
What are the key properties of 2-[2-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]isoindole-1,3-dione?
2-[2-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]isoindole-1,3-dione has a molecular weight of 256.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 67725361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).