2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane

C15H23N3O3 — CID 143480902

IUPAC2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane
SMILESC=C(N)CON1C(=O)c2ccccc2C1=O.CCC.CN
InChIInChI=1S/C11H10N2O3.C3H8.CH5N/c1-7(12)6-16-13-10(14)8-4-2-3-5-9(8)11(13)15;1-3-2;1-2/h2-5H,1,6,12H2;3H2,1-2H3;2H2,1H3
InChIKeyRUDPCEXJXXGOPH-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.68
Rot. Bonds3

About 2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane

2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane (PubChem CID 143480902) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane.

Molecular Properties

Compound Name2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane
PubChem CID143480902
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane
SMILESC=C(N)CON1C(=O)c2ccccc2C1=O.CCC.CN
InChIInChI=1S/C11H10N2O3.C3H8.CH5N/c1-7(12)6-16-13-10(14)8-4-2-3-5-9(8)11(13)15;1-3-2;1-2/h2-5H,1,6,12H2;3H2,1-2H3;2H2,1H3
InChIKeyRUDPCEXJXXGOPH-UHFFFAOYSA-N
XLogP1.68
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate
CID 21239173
2-[(2R)-2-(chloromethyl)-2-hydroxybutoxy]isoindole-1,3-dione
CID 69313479
[2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 170058298
2-pent-2-enoxyisoindole-1,3-dione
CID 59905208
2-(1,3-dioxoisoindol-2-yl)oxyethyl acetate;molecular hydrogen
CID 158595892
2-hydroxyisoindole-1,3-dione;propane
CID 143899638
ethyl (E)-4-(1,3-dioxoisoindol-2-yl)oxybut-2-enoate
CID 131247502
2-[2-(diethylamino)ethoxy]isoindole-1,3-dione
CID 15918162
2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride
CID 158649274
2-[(2E,4E)-5-methoxy-2-methyl-5-(methylideneamino)penta-2,4-dienoxy]isoindole-1,3-dione
CID 130193152
[amino-[2-(1,3-dioxoisoindol-2-yl)oxyethylsulfanyl]methylidene]azanium bromide
CID 21205590
methanamine;2-phenylisoindole-1,3-dione;propane
CID 171823860

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane?
The IUPAC name of 2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane (CID 143480902) is 2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane.
What is the SMILES notation for 2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane?
The canonical SMILES for 2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane is C=C(N)CON1C(=O)c2ccccc2C1=O.CCC.CN.
What is the InChIKey of 2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane?
The InChIKey is RUDPCEXJXXGOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3.C3H8.CH5N/c1-7(12)6-16-13-10(14)8-4-2-3-5-9(8)11(13)15;1-3-2;1-2/h2-5H,1,6,12H2;3H2,1-2H3;2H2,1H3.
What are the key properties of 2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane?
2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane has a molecular weight of 293.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane is sourced from PubChem (CID 143480902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).