4-[(dimethylamino)methyl]isoindole-1,3-dione

C11H12N2O2 — CID 18348298

IUPAC4-[(dimethylamino)methyl]isoindole-1,3-dione
SMILESCN(C)Cc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C11H12N2O2/c1-13(2)6-7-4-3-5-8-9(7)11(15)12-10(8)14/h3-5H,6H2,1-2H3,(H,12,14,15)
InChIKeyFKYNOIQBWUANOM-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.63
Rot. Bonds2

About 4-[(dimethylamino)methyl]isoindole-1,3-dione

4-[(dimethylamino)methyl]isoindole-1,3-dione (PubChem CID 18348298) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]isoindole-1,3-dione
PubChem CID18348298
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-[(dimethylamino)methyl]isoindole-1,3-dione
SMILESCN(C)Cc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C11H12N2O2/c1-13(2)6-7-4-3-5-8-9(7)11(15)12-10(8)14/h3-5H,6H2,1-2H3,(H,12,14,15)
InChIKeyFKYNOIQBWUANOM-UHFFFAOYSA-N
XLogP0.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.63
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

N-[(1,3-dioxoisoindol-4-yl)methyl]-N-[2,6-di(propan-2-yl)phenyl]methanesulfonamide
CID 70493560
4-(3-hydroxypropyl)isoindole-1,3-dione
CID 18673592
4-(2-phenylpropyl)isoindole-1,3-dione
CID 142777474
4-(2,3-dichloropropyl)isoindole-1,3-dione
CID 21495742
4-(10-hydroxydecyl)isoindole-1,3-dione
CID 118982082
4-penta-2,4-dienylisoindole-1,3-dione
CID 87978510
S-[4-[4-(1,3-dioxoisoindol-4-yl)butyl]phenyl] N,N-dimethylcarbamothioate
CID 87883842
4-[2-(2-hydroxyethoxy)ethyl]isoindole-1,3-dione
CID 175851855
4-[2-(2-chloroethoxy)ethyl]isoindole-1,3-dione
CID 57362063
4-but-1-enylisoindole-1,3-dione
CID 70126944
4-(dioxan-4-ylmethyl)isoindole-1,3-dione
CID 174463000
4-[2-(3,5-dichlorophenoxy)ethyl]isoindole-1,3-dione
CID 139822476

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]isoindole-1,3-dione?
The IUPAC name of 4-[(dimethylamino)methyl]isoindole-1,3-dione (CID 18348298) is 4-[(dimethylamino)methyl]isoindole-1,3-dione.
What is the SMILES notation for 4-[(dimethylamino)methyl]isoindole-1,3-dione?
The canonical SMILES for 4-[(dimethylamino)methyl]isoindole-1,3-dione is CN(C)Cc1cccc2c1C(=O)NC2=O.
What is the InChIKey of 4-[(dimethylamino)methyl]isoindole-1,3-dione?
The InChIKey is FKYNOIQBWUANOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-13(2)6-7-4-3-5-8-9(7)11(15)12-10(8)14/h3-5H,6H2,1-2H3,(H,12,14,15).
What are the key properties of 4-[(dimethylamino)methyl]isoindole-1,3-dione?
4-[(dimethylamino)methyl]isoindole-1,3-dione has a molecular weight of 204.23 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]isoindole-1,3-dione is sourced from PubChem (CID 18348298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).