2-prop-1-enoxyisoindole-1,3-dione

C11H9NO3 — CID 158403520

IUPAC2-prop-1-enoxyisoindole-1,3-dione
SMILESCC=CON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H9NO3/c1-2-7-15-12-10(13)8-5-3-4-6-9(8)11(12)14/h2-7H,1H3
InChIKeyGYJYCXKMURWJKO-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.75
Rot. Bonds2

About 2-prop-1-enoxyisoindole-1,3-dione

2-prop-1-enoxyisoindole-1,3-dione (PubChem CID 158403520) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-prop-1-enoxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-prop-1-enoxyisoindole-1,3-dione
PubChem CID158403520
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-prop-1-enoxyisoindole-1,3-dione
SMILESCC=CON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H9NO3/c1-2-7-15-12-10(13)8-5-3-4-6-9(8)11(12)14/h2-7H,1H3
InChIKeyGYJYCXKMURWJKO-UHFFFAOYSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-aminooxyisoindole-1,3-dione
CID 89054763
5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione
CID 102006402
bis(1,3-dioxoisoindol-2-yl) oxalate
CID 13423760
bis(1,3-dioxoisoindol-2-yl) carbonate
CID 12876455
2-pent-2-enoxyisoindole-1,3-dione
CID 59905208
2-[1-(chloroamino)ethoxy]isoindole-1,3-dione
CID 88887184
(2Z)-2-(2-methoxy-3-oxoisoindol-1-ylidene)acetonitrile
CID 121222565
2-(3-bromo-2,4-dioxopentan-3-yl)oxyisoindole-1,3-dione
CID 72793355
2-(4-phenylphenoxy)isoindole-1,3-dione
CID 154814720
3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid
CID 131031670
1-prop-1-enoxyquinolin-2-one
CID 70580898
O-(1,3-dioxoisoindol-2-yl) benzenecarbothioate
CID 175000687

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-enoxyisoindole-1,3-dione?
The IUPAC name of 2-prop-1-enoxyisoindole-1,3-dione (CID 158403520) is 2-prop-1-enoxyisoindole-1,3-dione.
What is the SMILES notation for 2-prop-1-enoxyisoindole-1,3-dione?
The canonical SMILES for 2-prop-1-enoxyisoindole-1,3-dione is CC=CON1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-prop-1-enoxyisoindole-1,3-dione?
The InChIKey is GYJYCXKMURWJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-2-7-15-12-10(13)8-5-3-4-6-9(8)11(12)14/h2-7H,1H3.
What are the key properties of 2-prop-1-enoxyisoindole-1,3-dione?
2-prop-1-enoxyisoindole-1,3-dione has a molecular weight of 203.20 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-enoxyisoindole-1,3-dione is sourced from PubChem (CID 158403520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).