methanamine;2-phenylisoindole-1,3-dione;propane

C18H22N2O2 — CID 171823860

IUPACmethanamine;2-phenylisoindole-1,3-dione;propane
SMILESCCC.CN.O=C1c2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C14H9NO2.C3H8.CH5N/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10;1-3-2;1-2/h1-9H;3H2,1-2H3;2H2,1H3
InChIKeyRZUDXARRCFPQFW-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.48
Rot. Bonds1

About methanamine;2-phenylisoindole-1,3-dione;propane

methanamine;2-phenylisoindole-1,3-dione;propane (PubChem CID 171823860) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is methanamine;2-phenylisoindole-1,3-dione;propane.

Molecular Properties

Compound Namemethanamine;2-phenylisoindole-1,3-dione;propane
PubChem CID171823860
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Namemethanamine;2-phenylisoindole-1,3-dione;propane
SMILESCCC.CN.O=C1c2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C14H9NO2.C3H8.CH5N/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10;1-3-2;1-2/h1-9H;3H2,1-2H3;2H2,1H3
InChIKeyRZUDXARRCFPQFW-UHFFFAOYSA-N
XLogP3.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
methylarsonic acid;2-phenylisoindole-1,3-dione
CID 162087395
4-methyl-2-phenylisoindole-1,3-dione
CID 12746962
2-(3-amino-4-ethylphenyl)isoindole-1,3-dione
CID 60921292
(2R)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]butanoic acid
CID 92953781
2-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-2-ethylbutanoic acid
CID 67900422
2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione
CID 106913246
2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]isoindole-1,3-dione
CID 168518349
2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 765459
2-hydroxyisoindole-1,3-dione;propane
CID 143899638
4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 17234242
butyl 1,3-dioxo-2-phenylisoindole-5-carboxylate
CID 3099106

Frequently Asked Questions

What is the IUPAC name of methanamine;2-phenylisoindole-1,3-dione;propane?
The IUPAC name of methanamine;2-phenylisoindole-1,3-dione;propane (CID 171823860) is methanamine;2-phenylisoindole-1,3-dione;propane.
What is the SMILES notation for methanamine;2-phenylisoindole-1,3-dione;propane?
The canonical SMILES for methanamine;2-phenylisoindole-1,3-dione;propane is CCC.CN.O=C1c2ccccc2C(=O)N1c1ccccc1.
What is the InChIKey of methanamine;2-phenylisoindole-1,3-dione;propane?
The InChIKey is RZUDXARRCFPQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2.C3H8.CH5N/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10;1-3-2;1-2/h1-9H;3H2,1-2H3;2H2,1H3.
What are the key properties of methanamine;2-phenylisoindole-1,3-dione;propane?
methanamine;2-phenylisoindole-1,3-dione;propane has a molecular weight of 298.39 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-phenylisoindole-1,3-dione;propane is sourced from PubChem (CID 171823860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).