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'}

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Related Compounds

CID 5426
CID 5426
CID 11074
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CID 92142
CID 92142
CID 91585
CID 91585
CID 67535
CID 67535
CID 73812
CID 73812
CID 21120
CID 21120
CID 75792
CID 75792
CID 86884
CID 86884
CID 231838
CID 231838
CID 519663
CID 519663
CID 225739
CID 225739

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).