hydron;2-propylisoindole-1,3-dione

C11H12NO2+ — CID 174827386

IUPAChydron;2-propylisoindole-1,3-dione
SMILESCCCN1C(=O)c2ccccc2C1=O.[H+]
InChIInChI=1S/C11H11NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,2,7H2,1H3/p+1
InChIKeyRLARUBPTQYKZKA-UHFFFAOYSA-O
MW190.22 g/mol
LogP1.81
Rot. Bonds2

About hydron;2-propylisoindole-1,3-dione

hydron;2-propylisoindole-1,3-dione (PubChem CID 174827386) has the molecular formula C11H12NO2+ and a molecular weight of 190.22 g/mol. Its IUPAC name is hydron;2-propylisoindole-1,3-dione.

Molecular Properties

Compound Namehydron;2-propylisoindole-1,3-dione
PubChem CID174827386
Molecular FormulaC11H12NO2+
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Namehydron;2-propylisoindole-1,3-dione
SMILESCCCN1C(=O)c2ccccc2C1=O.[H+]
InChIInChI=1S/C11H11NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,2,7H2,1H3/p+1
InChIKeyRLARUBPTQYKZKA-UHFFFAOYSA-O
XLogP1.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoroprop-2-enoic acid;2-propylisoindole-1,3-dione
CID 142092331
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
CID 171374663
CID 171374663
2-hex-2-ynylisoindole-1,3-dione
CID 15470515
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849
2-(5-pentoxypentyl)isoindole-1,3-dione
CID 139959537
2-[2-(dioctylamino)ethyl]isoindole-1,3-dione
CID 170273237
2-(7-propylsulfanylheptyl)isoindole-1,3-dione
CID 139959295
2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]isoindole-1,3-dione
CID 166009337
2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 155179726
2-(5-methylhexadecyl)isoindole-1,3-dione
CID 70431675
3-(1,3-dioxoisoindol-2-yl)propyl-hexadecyl-dimethylazanium
CID 19834288

Frequently Asked Questions

What is the IUPAC name of hydron;2-propylisoindole-1,3-dione?
The IUPAC name of hydron;2-propylisoindole-1,3-dione (CID 174827386) is hydron;2-propylisoindole-1,3-dione.
What is the SMILES notation for hydron;2-propylisoindole-1,3-dione?
The canonical SMILES for hydron;2-propylisoindole-1,3-dione is CCCN1C(=O)c2ccccc2C1=O.[H+].
What is the InChIKey of hydron;2-propylisoindole-1,3-dione?
The InChIKey is RLARUBPTQYKZKA-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H11NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,2,7H2,1H3/p+1.
What are the key properties of hydron;2-propylisoindole-1,3-dione?
hydron;2-propylisoindole-1,3-dione has a molecular weight of 190.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-propylisoindole-1,3-dione is sourced from PubChem (CID 174827386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).