5-amino-2-(2-methylpropyl)-5,6-dihydroisoindole-1,3-dione

C12H16N2O2 — CID 70974494

IUPAC5-amino-2-(2-methylpropyl)-5,6-dihydroisoindole-1,3-dione
SMILESCC(C)CN1C(=O)C2=CCC(N)C=C2C1=O
InChIInChI=1S/C12H16N2O2/c1-7(2)6-14-11(15)9-4-3-8(13)5-10(9)12(14)16/h4-5,7-8H,3,6,13H2,1-2H3
InChIKeyXEEHPUAWEQVQTC-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.60
Rot. Bonds2

About 5-amino-2-(2-methylpropyl)-5,6-dihydroisoindole-1,3-dione

5-amino-2-(2-methylpropyl)-5,6-dihydroisoindole-1,3-dione (PubChem CID 70974494) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-amino-2-(2-methylpropyl)-5,6-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-(2-methylpropyl)-5,6-dihydroisoindole-1,3-dione
PubChem CID70974494
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-amino-2-(2-methylpropyl)-5,6-dihydroisoindole-1,3-dione
SMILESCC(C)CN1C(=O)C2=CCC(N)C=C2C1=O
InChIInChI=1S/C12H16N2O2/c1-7(2)6-14-11(15)9-4-3-8(13)5-10(9)12(14)16/h4-5,7-8H,3,6,13H2,1-2H3
InChIKeyXEEHPUAWEQVQTC-UHFFFAOYSA-N
XLogP0.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.60
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

(3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154709685
(3E)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide
CID 154710873
(3E)-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)-N-(2-methylpropyl)propanamide
CID 154711077
(3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154711150
(3E)-3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154711151
(3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154711264
6-hydroxy-2-isopropyl-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 67498337
(3E,4E)-3-(2-aminoethylidene)-1-(2-methylpropyl)-4-prop-2-enylidenepyrrolidine-2,5-dione
CID 89074093
5-amino-2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5,6-dihydroisoindole-1,3-dione
CID 89153955
2-Methyl-5,6-dihydroisoindole-1,3-dione
CID 89570318
N-ethyl-2-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propanamide
CID 130442028
(3E,4E)-3,4-di(ethylidene)-1-propan-2-ylpyrrolidine-2,5-dione
CID 134260202

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methylpropyl)-5,6-dihydroisoindole-1,3-dione?
The IUPAC name of 5-amino-2-(2-methylpropyl)-5,6-dihydroisoindole-1,3-dione (CID 70974494) is 5-amino-2-(2-methylpropyl)-5,6-dihydroisoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-(2-methylpropyl)-5,6-dihydroisoindole-1,3-dione?
The canonical SMILES for 5-amino-2-(2-methylpropyl)-5,6-dihydroisoindole-1,3-dione is CC(C)CN1C(=O)C2=CCC(N)C=C2C1=O.
What is the InChIKey of 5-amino-2-(2-methylpropyl)-5,6-dihydroisoindole-1,3-dione?
The InChIKey is XEEHPUAWEQVQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7(2)6-14-11(15)9-4-3-8(13)5-10(9)12(14)16/h4-5,7-8H,3,6,13H2,1-2H3.
What are the key properties of 5-amino-2-(2-methylpropyl)-5,6-dihydroisoindole-1,3-dione?
5-amino-2-(2-methylpropyl)-5,6-dihydroisoindole-1,3-dione has a molecular weight of 220.27 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-methylpropyl)-5,6-dihydroisoindole-1,3-dione is sourced from PubChem (CID 70974494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).