2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione

C14H16N2O2 — CID 138523801

IUPAC2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione
SMILESCC(CN)=C(C)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H16N2O2/c1-9(7-15)10(2)8-16-13(17)11-5-3-4-6-12(11)14(16)18/h3-6H,7-8,15H2,1-2H3
InChIKeyQJZRNMBHXGSHHX-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.58
Rot. Bonds3

About 2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione

2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione (PubChem CID 138523801) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione
PubChem CID138523801
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione
SMILESCC(CN)=C(C)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H16N2O2/c1-9(7-15)10(2)8-16-13(17)11-5-3-4-6-12(11)14(16)18/h3-6H,7-8,15H2,1-2H3
InChIKeyQJZRNMBHXGSHHX-UHFFFAOYSA-N
XLogP1.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten
CID 158979735
2-(2-fluoro-4-hydroxy-3-methylbut-2-enyl)isoindole-1,3-dione
CID 158516892
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
2-methylidenebut-3-en-1-amine;2-(2-methylidenebut-3-enyl)isoindole-1,3-dione;hydrate
CID 159094001
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849
2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride
CID 68525150
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448
2-(3-iodo-2-oxopropyl)isoindole-1,3-dione
CID 71756469
2-[2-(4-methylphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 11987559
ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 164901575
N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 119655397

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione?
The IUPAC name of 2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione (CID 138523801) is 2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione is CC(CN)=C(C)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione?
The InChIKey is QJZRNMBHXGSHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(7-15)10(2)8-16-13(17)11-5-3-4-6-12(11)14(16)18/h3-6H,7-8,15H2,1-2H3.
What are the key properties of 2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione?
2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione has a molecular weight of 244.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione is sourced from PubChem (CID 138523801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).